Isis 6481

Structural Information

Molecular Formula

C₁₉₃H₂₄₄N₇₇O₉₈P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C193H244N77O98P19S19/c1-75-38-258(191(289)248-169(75)273)132-19-79(98(41-271)330-132)350-370(293,389)312-43-100-80(20-126(332-100)252-12-5-119(195)230-185(252)283)351-371(294,390)313-44-101-81(21-127(333-101)253-13-6-120(196)231-186(253)284)352-372(295,391)318-49-106-87(27-134(338-106)260-40-77(3)171(275)250-193(260)291)358-378(301,397)326-57-114-95(35-142(346-114)268-72-226-152-166(268)239-181(208)245-175(152)279)367-386(309,405)329-60-117-96(36-143(349-117)269-73-227-153-167(269)240-182(209)246-176(153)280)366-385(308,404)323-54-111-91(31-138(343-111)264-68-222-148-158(204)214-64-218-162(148)264)362-383(306,402)327-58-115-97(37-144(347-115)270-74-228-154-168(270)241-183(210)247-177(154)281)368-387(310,406)328-59-116-93(33-140(348-116)266-70-224-150-164(266)237-179(206)243-173(150)277)364-382(305,401)316-47-104-82(22-128(336-104)254-14-7-121(197)232-187(254)285)353-373(296,392)319-50-107-86(26-133(339-107)259-39-76(2)170(274)249-192(259)290)357-377(300,396)325-56-113-92(32-139(345-113)265-69-223-149-163(265)236-178(205)242-172(149)276)363-381(304,400)317-48-105-84(24-130(337-105)256-16-9-123(199)234-189(256)287)355-375(298,394)321-52-109-89(29-136(341-109)262-66-220-146-156(202)212-62-216-160(146)262)360-379(302,398)315-46-103-85(25-131(335-103)257-17-10-124(200)235-190(257)288)356-376(299,395)324-55-112-94(34-141(344-112)267-71-225-151-165(267)238-180(207)244-174(151)278)365-384(307,403)322-53-110-90(30-137(342-110)263-67-221-147-157(203)213-63-217-161(147)263)361-380(303,399)314-45-102-83(23-129(334-102)255-15-8-122(198)233-188(255)286)354-374(297,393)320-51-108-88(28-135(340-108)261-65-219-145-155(201)211-61-215-159(145)261)359-369(292,388)311-42-99-78(272)18-125(331-99)251-11-4-118(194)229-184(251)282/h4-17,38-40,61-74,78-117,125-144,271-272H,18-37,41-60H2,1-3H3,(H,292,388)(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H2,194,229,282)(H2,195,230,283)(H2,196,231,284)(H2,197,232,285)(H2,198,233,286)(H2,199,234,287)(H2,200,235,288)(H2,201,211,215)(H2,202,212,216)(H2,203,213,217)(H2,204,214,218)(H,248,273,289)(H,249,274,290)(H,250,275,291)(H3,205,236,242,276)(H3,206,237,243,277)(H3,207,238,244,278)(H3,208,239,245,279)(H3,209,240,246,280)(H3,210,241,247,281)

InChIKey

GFEKDLDGGBMCBD-UHFFFAOYSA-N

Compound name

1-[4-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204698