3-[(5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-benzoic acid CAS Name: 3-[[5-cyano-6-(methylthio)-4-pyrimidinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(5-cyano-6-methylsulfanylpyrimidin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[[5-cyano-6-(methylthio)pyrimidin-4-yl]amino]-4-methyl-benzoic acid Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C(=NC=N2)SC)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C(=NC=N2)SC)C#N

InChI

InChI=1S/C14H12N4O2S/c1-8-3-4-9(14(19)20)5-11(8)18-12-10(6-15)13(21-2)17-7-16-12/h3-5,7H,1-2H3,(H,19,20)(H,16,17,18)