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

Systemtic Name: 1-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Openeye Name: 1-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol CAS Name: 1-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-3-(7H-purin-6-ylthio)-2-propanol IUPAC Name: 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Traditional Name: 1-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-3-(7H-purin-6-ylthio)propan-2-ol Formula: C25H27ClN6OS MolecularWeight: 495.03948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN6OS/c26-20-8-6-19(7-9-20)23(18-4-2-1-3-5-18)32-12-10-31(11-13-32)14-21(33)15-34-25-22-24(28-16-27-22)29-17-30-25/h1-9,16-17,21,23,33H,10-15H2,(H,27,28,29,30)