1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-[4-(4-chlorophenyl)-1-piperazinyl]-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-chlorophenyl)piperazino]-2-(7H-purin-6-ylthio)ethanone Formula: C17H17ClN6OS MolecularWeight: 388.87448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C17H17ClN6OS/c18-12-1-3-13(4-2-12)23-5-7-24(8-6-23)14(25)9-26-17-15-16(20-10-19-15)21-11-22-17/h1-4,10-11H,5-9H2,(H,19,20,21,22)