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

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(7H-purin-6-ylthio)ethanone Formula: C18H19ClN6OS MolecularWeight: 402.90106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN6OS/c19-14-3-1-13(2-4-14)9-24-5-7-25(8-6-24)15(26)10-27-18-16-17(21-11-20-16)22-12-23-18/h1-4,11-12H,5-10H2,(H,20,21,22,23)