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

Systemtic Name: 1-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[4-oxo-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]isonipecotamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H22N4O2S/c1-12-2-4-15(5-3-12)25-11-14-10-16(23)21-18(20-14)22-8-6-13(7-9-22)17(19)24/h2-5,10,13H,6-9,11H2,1H3,(H2,19,24)(H,20,21,23)