1-[4-[2-oxidanyl-3-(6-pyrrol-1-ylpurin-9-yl)propyl]piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[2-oxidanyl-3-(6-pyrrol-1-ylpurin-9-yl)propyl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[2-hydroxy-3-(6-pyrrol-1-ylpurin-9-yl)propyl]piperazin-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[2-hydroxy-3-[6-(1-pyrrolyl)-9-purinyl]propyl]-1-piperazinyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[2-hydroxy-3-(6-pyrrol-1-ylpurin-9-yl)propyl]piperazin-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[2-hydroxy-3-(6-pyrrol-1-ylpurin-9-yl)propyl]piperazino]-2,2-diphenyl-ethanone Formula: C30H31N7O2 MolecularWeight: 521.61284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C2N=CN=C3N4C=CC=C4)O)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C2N=CN=C3N4C=CC=C4)O)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H31N7O2/c38-25(20-37-22-33-27-28(31-21-32-29(27)37)35-13-7-8-14-35)19-34-15-17-36(18-16-34)30(39)26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,21-22,25-26,38H,15-20H2