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

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

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17N5O4/c1-3-11-9-15(24)21-18(19-11)23-14(8-10(2)22-23)20-16(25)12-6-4-5-7-13(12)17(26)27/h4-9H,3H2,1-2H3,(H,20,25)(H,26,27)(H,19,21,24)