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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(1-piperidyl)ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-oxo-2-(1-piperidinyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-6-(2-keto-2-piperidino-ethyl)-1H-pyrimidin-4-one Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3O2S/c19-14-6-4-5-13(9-14)12-25-18-20-15(10-16(23)21-18)11-17(24)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8,11-12H2,(H,20,21,23)