1-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol

Systemtic Name: 1-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Openeye Name: 1-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol CAS Name: 1-[4-[phenyl-(4-phenylphenyl)methyl]-1-piperazinyl]-3-(7H-purin-6-ylthio)-2-propanol IUPAC Name: 1-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Traditional Name: 1-[4-[phenyl-(4-phenylphenyl)methyl]piperazino]-3-(7H-purin-6-ylthio)propan-2-ol Formula: C31H32N6OS MolecularWeight: 536.69038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSC2=NC=NC3=C2NC=N3)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(CSC2=NC=NC3=C2NC=N3)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H32N6OS/c38-27(20-39-31-28-30(33-21-32-28)34-22-35-31)19-36-15-17-37(18-16-36)29(25-9-5-2-6-10-25)26-13-11-24(12-14-26)23-7-3-1-4-8-23/h1-14,21-22,27,29,38H,15-20H2,(H,32,33,34,35)