2-[[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2C(=O)O)C3=NC(=O)C(=C(N3)C)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2C(=O)O)C3=NC(=O)C(=C(N3)C)C

InChI

InChI=1S/C18H17N5O4/c1-9-8-14(20-16(25)12-6-4-5-7-13(12)17(26)27)23(22-9)18-19-11(3)10(2)15(24)21-18/h4-8H,1-3H3,(H,20,25)(H,26,27)(H,19,21,24)