(E)-4-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-cyano-2-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]amino]-4-keto-but-2-enoic acid Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C=N2)C#N)NC(=O)C=CC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C=N2)C#N)NC(=O)/C=C/C(=O)O)C

InChI

InChI=1S/C14H12N6O3/c1-8-5-9(2)18-14(17-8)20-13(10(6-15)7-16-20)19-11(21)3-4-12(22)23/h3-5,7H,1-2H3,(H,19,21)(H,22,23)/b4-3+