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

Systemtic Name: 2-[[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C19H19N5O4/c1-4-12-11(3)20-19(22-16(12)25)24-15(9-10(2)23-24)21-17(26)13-7-5-6-8-14(13)18(27)28/h5-9H,4H2,1-3H3,(H,21,26)(H,27,28)(H,20,22,25)