1-[4-(diphenylmethyl)piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[6-(1-pyrrolyl)-9-purinyl]-2-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-one Traditional Name: 1-(4-benzhydrylpiperazino)-3-(6-pyrrol-1-ylpurin-9-yl)acetone Formula: C29H29N7O MolecularWeight: 491.58686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N7O/c37-25(20-36-22-32-26-28(30-21-31-29(26)36)35-13-7-8-14-35)19-33-15-17-34(18-16-33)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,21-22,27H,15-20H2