4-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)benzoic acid hydrochloride

Systemtic Name: 4-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)benzoic acid hydrochloride Openeye Name: 4-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)benzoic acid hydrochloride CAS Name: 4-(4,6-dimethyl-2-oxo-1-pyrimidinyl)benzoic acid hydrochloride IUPAC Name: 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)benzoic acid hydrochloride Traditional Name: 4-(2-keto-4,6-dimethyl-pyrimidin-1-yl)benzoic acid hydrochloride Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1C2=CC=C(C=C2)C(=O)O)C.Cl

Isomeric SMILES

CC1=CC(=NC(=O)N1C2=CC=C(C=C2)C(=O)O)C.Cl

InChI

InChI=1S/C13H12N2O3.ClH/c1-8-7-9(2)15(13(18)14-8)11-5-3-10(4-6-11)12(16)17;/h3-7H,1-2H3,(H,16,17);1H