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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-3-[6-(1-pyrrolyl)-9-purinyl]-2-propanol IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Traditional Name: 1-(4-benzylpiperazino)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol Formula: C23H27N7O MolecularWeight: 417.50678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(CN3C=NC4=C3N=CN=C4N5C=CC=C5)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(CN3C=NC4=C3N=CN=C4N5C=CC=C5)O

InChI

InChI=1S/C23H27N7O/c31-20(15-28-12-10-27(11-13-28)14-19-6-2-1-3-7-19)16-30-18-26-21-22(24-17-25-23(21)30)29-8-4-5-9-29/h1-9,17-18,20,31H,10-16H2