[(3R)-3-[(6-azanylpurin-3-yl)methyl]-4-oxidanyl-2,3,3a,4-tetrahydrobenzo[f]indol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone

Systemtic Name: [(3R)-3-[(6-azanylpurin-3-yl)methyl]-4-oxidanyl-2,3,3a,4-tetrahydrobenzo[f]indol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone Openeye Name: [(3R)-3-[(6-aminopurin-3-yl)methyl]-4-hydroxy-2,3,3a,4-tetrahydrobenzo[f]indol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone CAS Name: [(3R)-3-[(6-amino-3-purinyl)methyl]-4-hydroxy-2,3,3a,4-tetrahydrobenzo[f]indol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone IUPAC Name: [(3R)-3-[(6-aminopurin-3-yl)methyl]-4-hydroxy-2,3,3a,4-tetrahydrobenzo[f]indol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone Traditional Name: [(3R)-3-[(6-aminopurin-3-yl)methyl]-4-hydroxy-2,3,3a,4-tetrahydrobenz[f]indol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone Formula: C30H29N7O5 MolecularWeight: 567.59516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4C3=CC5=CC=CC=C5C4O)CN6C=NC(=C7C6=NC=N7)N)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H](C4C3=CC5=CC=CC=C5C4O)CN6C=NC(=C7C6=NC=N7)N)OC)OC

InChI

InChI=1S/C30H29N7O5/c1-40-21-10-16-8-19(35-23(16)27(42-3)26(21)41-2)30(39)37-12-17(11-36-14-34-28(31)24-29(36)33-13-32-24)22-20(37)9-15-6-4-5-7-18(15)25(22)38/h4-10,13-14,17,22,25,35,38H,11-12,31H2,1-3H3/t17-,22?,25?/m1/s1