1-[4-[(2-methylphenyl)-phenyl-methyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol

Systemtic Name: 1-[4-[(2-methylphenyl)-phenyl-methyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Openeye Name: 1-[4-[o-tolyl(phenyl)methyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol CAS Name: 1-[4-[(2-methylphenyl)-phenylmethyl]-1-piperazinyl]-3-[6-(1-pyrrolyl)-9-purinyl]-2-propanol IUPAC Name: 1-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Traditional Name: 1-[4-[o-tolyl(phenyl)methyl]piperazino]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Formula: C30H33N7O MolecularWeight: 507.62932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)N3CCN(CC3)CC(CN4C=NC5=C4N=CN=C5N6C=CC=C6)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)N3CCN(CC3)CC(CN4C=NC5=C4N=CN=C5N6C=CC=C6)O

InChI

InChI=1S/C30H33N7O/c1-23-9-5-6-12-26(23)28(24-10-3-2-4-11-24)35-17-15-34(16-18-35)19-25(38)20-37-22-33-27-29(31-21-32-30(27)37)36-13-7-8-14-36/h2-14,21-22,25,28,38H,15-20H2,1H3