[(1R)-1-[(6-azanylpurin-3-yl)methyl]-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]-(5-prop-1-en-2-yl-1H-indol-2-yl)methanone

Systemtic Name: [(1R)-1-[(6-azanylpurin-3-yl)methyl]-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]-(5-prop-1-en-2-yl-1H-indol-2-yl)methanone Openeye Name: [(1R)-1-[(6-aminopurin-3-yl)methyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5-isopropenyl-1H-indol-2-yl)methanone CAS Name: [(1R)-1-[(6-amino-3-purinyl)methyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-(1-methylethenyl)-1H-indol-2-yl]methanone IUPAC Name: [(1R)-1-[(6-aminopurin-3-yl)methyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5-prop-1-en-2-yl-1H-indol-2-yl)methanone Traditional Name: [(1R)-1-[(6-aminopurin-3-yl)methyl]-5-hydroxy-1,2-dihydrobenz[e]indol-3-yl]-(5-isopropenyl-1H-indol-2-yl)methanone Formula: C30H25N7O2 MolecularWeight: 515.5652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)O)CN6C=NC(=C7C6=NC=N7)N

Isomeric SMILES

CC(=C)C1=CC2=C(C=C1)NC(=C2)C(=O)N3C[C@H](C4=C3C=C(C5=CC=CC=C54)O)CN6C=NC(=C7C6=NC=N7)N

InChI

InChI=1S/C30H25N7O2/c1-16(2)17-7-8-22-18(9-17)10-23(35-22)30(39)37-13-19(12-36-15-34-28(31)27-29(36)33-14-32-27)26-21-6-4-3-5-20(21)25(38)11-24(26)37/h3-11,14-15,19,35,38H,1,12-13,31H2,2H3/t19-/m1/s1