2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]-1H-pyrimidin-6-one Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=NC=CC(=O)N3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C16H17ClN4O2S/c17-12-2-1-3-13(10-12)20-6-8-21(9-7-20)15(23)11-24-16-18-5-4-14(22)19-16/h1-5,10H,6-9,11H2,(H,18,19,22)