1-[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[5-cyano-2-methylsulfanyl-6-(p-tolyl)pyrimidin-4-yl]piperidine-4-carboxamide CAS Name: 1-[5-cyano-6-(4-methylphenyl)-2-(methylthio)-4-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-cyano-6-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[5-cyano-2-(methylthio)-6-(p-tolyl)pyrimidin-4-yl]isonipecotamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCC(CC3)C(=O)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCC(CC3)C(=O)N)C#N

InChI

InChI=1S/C19H21N5OS/c1-12-3-5-13(6-4-12)16-15(11-20)18(23-19(22-16)26-2)24-9-7-14(8-10-24)17(21)25/h3-6,14H,7-10H2,1-2H3,(H2,21,25)