5-methyl-1-(12-{20,24,40-tris[12-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))dodecyloxy]-8,16,28,36,43,46-hexaazaheptacyclo[35.3.1.1<3,7>.1<10,14>.1<17,21>.1<23,27>.1<30,34>]hexatetraconta-1(41),3,5,7(42),8,10(43),11,13,15,17,19,21(44),23,25,27(45),28,30,32,34(46),35,37,39-docosaen-4-yloxy}dodecyl)-1,3-dihydropyrimidine-2,4-dione

Structural Information

Molecular Formula

C₁₀₈H₁₄₂N₁₄O₁₂

SMILES

CC1=CN(C(=O)NC1=O)CCCCCCCCCCCCOC2=C3CC4=C(C=CC(=C4)N=CC5=NC(=CC=C5)C=NC6=CC(=C(C=C6)OCCCCCCCCCCCCN7C=C(C(=O)NC7=O)C)CC8=C(C=CC(=C8)N=CC9=CC=CC(=N9)C=NC(=C3)C=C2)OCCCCCCCCCCCCN1C=C(C(=O)NC1=O)C)OCCCCCCCCCCCCN1C=C(C(=O)NC1=O)C

InChI

InChI=1S/C108H142N14O12/c1-81-77-119(105(127)115-101(81)123)59-37-29-21-13-5-9-17-25-33-41-63-131-97-55-51-89-69-85(97)67-86-70-90(52-56-98(86)132-64-42-34-26-18-10-6-14-22-30-38-60-120-78-82(2)102(124)116-106(120)128)110-74-94-49-46-50-96(114-94)76-112-92-54-58-100(134-66-44-36-28-20-12-8-16-24-32-40-62-122-80-84(4)104(126)118-108(122)130)88(72-92)68-87-71-91(111-75-95-48-45-47-93(113-95)73-109-89)53-57-99(87)133-65-43-35-27-19-11-7-15-23-31-39-61-121-79-83(3)103(125)117-107(121)129/h45-58,69-80H,5-44,59-68H2,1-4H3,(H,115,123,127)(H,116,124,128)(H,117,125,129)(H,118,126,130)

InChIKey

OTVDAPQRYFTKBC-UHFFFAOYSA-N

Compound name

5-methyl-1-[12-[[20,24,40-tris[12-(5-methyl-2,4-dioxopyrimidin-1-yl)dodecoxy]-8,16,28,36,42,45-hexazaheptacyclo[35.3.1.13,7.110,14.117,21.123,27.130,34]hexatetraconta-1(40),3,5,7(46),8,10(45),11,13,15,17(44),18,20,23,25,27(43),28,30,32,34(42),35,37(41),38-docosaen-4-yl]oxy]dodecyl]pyrimidine-2,4-dione

Related CIDs

• CID 16197431