2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]ethanoic acid Openeye Name: 2-[[5-cyano-2-methylsulfanyl-6-(p-tolyl)pyrimidin-4-yl]amino]acetic acid CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-2-(methylthio)-4-pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-yl]amino]acetic acid Traditional Name: 2-[[5-cyano-2-(methylthio)-6-(p-tolyl)pyrimidin-4-yl]amino]acetic acid Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O2S/c1-9-3-5-10(6-4-9)13-11(7-16)14(17-8-12(20)21)19-15(18-13)22-2/h3-6H,8H2,1-2H3,(H,20,21)(H,17,18,19)