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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-(6-naphthalen-2-ylpurin-9-yl)propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-naphthyl)purin-9-yl]propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[6-(2-naphthalenyl)-9-purinyl]-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(6-naphthalen-2-ylpurin-9-yl)propan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-[6-(2-naphthyl)purin-9-yl]propan-2-ol Formula: C35H34N6O MolecularWeight: 554.68406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C(N=CN=C32)C4=CC5=CC=CC=C5C=C4)O)C(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C(N=CN=C32)C4=CC5=CC=CC=C5C=C4)O)C(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C35H34N6O/c42-31(22-39-17-19-40(20-18-39)34(27-10-3-1-4-11-27)28-12-5-2-6-13-28)23-41-25-38-33-32(36-24-37-35(33)41)30-16-15-26-9-7-8-14-29(26)21-30/h1-16,21,24-25,31,34,42H,17-20,22-23H2