1-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[6-[[(4-chlorophenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[6-[[(4-chlorophenyl)thio]methyl]-4-keto-1H-pyrimidin-2-yl]isonipecotamide Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O2S/c18-12-1-3-14(4-2-12)25-10-13-9-15(23)21-17(20-13)22-7-5-11(6-8-22)16(19)24/h1-4,9,11H,5-8,10H2,(H2,19,24)(H,20,21,23)