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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-(7H-purin-6-ylthio)-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-(7H-purin-6-ylthio)propan-2-ol Formula: C25H28N6OS MolecularWeight: 460.59442

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6OS/c32-21(16-33-25-22-24(27-17-26-22)28-18-29-25)15-30-11-13-31(14-12-30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,21,23,32H,11-16H2,(H,26,27,28,29)