1-(4-phenylpiperazin-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(4-phenylpiperazino)-2-(7H-purin-6-ylthio)ethanone Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6OS/c24-14(10-25-17-15-16(19-11-18-15)20-12-21-17)23-8-6-22(7-9-23)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H,18,19,20,21)