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

Systemtic Name: 2-[[5-methyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H15N5O4/c1-9-8-14(23)20-17(18-9)22-13(7-10(2)21-22)19-15(24)11-5-3-4-6-12(11)16(25)26/h3-8H,1-2H3,(H,19,24)(H,25,26)(H,18,20,23)