N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(4-cyano-2-methyl-3-pyrazolyl)-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(4-cyano-2-methylpyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[(6-methylpyrimidin-4-yl)thio]butyramide Formula: C14H16N6OS MolecularWeight: 316.38144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C#N)SC2=NC=NC(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C#N)SC2=NC=NC(=C2)C

InChI

InChI=1S/C14H16N6OS/c1-4-11(22-12-5-9(2)16-8-17-12)14(21)19-13-10(6-15)7-18-20(13)3/h5,7-8,11H,4H2,1-3H3,(H,19,21)