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

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

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H19N5O4/c1-3-6-12-10-16(25)22-19(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)18(27)28/h4-5,7-10H,3,6H2,1-2H3,(H,21,26)(H,27,28)(H,20,22,25)