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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(7H-purin-6-ylthio)ethanone Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H20N6OS/c25-15(11-26-18-16-17(20-12-19-16)21-13-22-18)24-8-6-23(7-9-24)10-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,19,20,21,22)