4-propyl-1h-imidazole & as

Structural Information

Molecular Formula

C₁₆₂H₂₀₈N₆₃O₁₀₀P₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)O)N7C=CC(=NC7=O)N)N8C=NC9=C8N=C(NC9=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C162H208N63O100P17/c1-67-36-217(161(239)207-147(67)227)120-28-78(95(302-120)47-285-331(252,253)314-74-24-116(213-15-7-107(167)199-157(213)235)301-94(74)46-284-339(268,269)324-84-34-126(224-65-193-133-145(224)203-151(176)205-149(133)229)309-102(84)54-292-342(274,275)325-85-35-127(225-66-194-134-146(225)204-152(177)206-150(134)230)308-101(85)53-291-328(246,247)310-70-20-112(209-11-3-103(163)195-153(209)231)294-87(70)39-276-326(241,242)243)318-335(260,261)280-42-90-76(26-118(297-90)215-17-9-109(169)201-159(215)237)316-333(256,257)288-50-98-82(32-124(305-98)222-63-191-131-138(174)181-58-186-143(131)222)322-340(270,271)286-48-96-79(29-121(303-96)218-37-68(2)148(228)208-162(218)240)319-336(262,263)281-43-91-75(25-117(298-91)214-16-8-108(168)200-158(214)236)315-332(254,255)287-49-97-80(30-122(304-97)220-61-189-129-136(172)179-56-184-141(129)220)320-337(264,265)283-45-93-77(27-119(300-93)216-18-10-110(170)202-160(216)238)317-334(258,259)289-51-99-83(33-125(306-99)223-64-192-132-139(175)182-59-187-144(132)223)323-341(272,273)290-52-100-81(31-123(307-100)221-62-190-130-137(173)180-57-185-142(130)221)321-338(266,267)282-44-92-73(23-115(299-92)212-14-6-106(166)198-156(212)234)313-330(250,251)279-41-89-72(22-114(296-89)211-13-5-105(165)197-155(211)233)312-329(248,249)278-40-88-71(21-113(295-88)210-12-4-104(164)196-154(210)232)311-327(244,245)277-38-86-69(226)19-111(293-86)219-60-188-128-135(171)178-55-183-140(128)219/h3-18,36-37,55-66,69-102,111-127,226H,19-35,38-54H2,1-2H3,(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H2,163,195,231)(H2,164,196,232)(H2,165,197,233)(H2,166,198,234)(H2,167,199,235)(H2,168,200,236)(H2,169,201,237)(H2,170,202,238)(H2,171,178,183)(H2,172,179,184)(H2,173,180,185)(H2,174,181,186)(H2,175,182,187)(H,207,227,239)(H,208,228,240)(H2,241,242,243)(H3,176,203,205,229)(H3,177,204,206,230)

InChIKey

SGUKYTZMQQVPOB-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 136173211