N-(3-acetamido-4-methyl-phenyl)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-acetamido-4-methyl-phenyl)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-acetamido-4-methyl-phenyl)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-acetamido-4-methylphenyl)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-acetamido-4-methylphenyl)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetamido-4-methyl-phenyl)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)NC(=O)C

InChI

InChI=1S/C16H16N6O2S/c1-9-3-4-12(5-13(9)20-10(2)23)21-14(24)8-25-16-19-7-11(6-17)15(18)22-16/h3-5,7H,8H2,1-2H3,(H,20,23)(H,21,24)(H2,18,19,22)