2-(2-bromanyl-5-methoxy-phenyl)-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(2-bromanyl-5-methoxy-phenyl)-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(2-bromo-5-methoxy-phenyl)-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-(2-bromo-5-methoxyphenyl)-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(2-bromo-5-methoxyphenyl)-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-(2-bromo-5-methoxy-phenyl)-4-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H11BrN2O4 MolecularWeight: 339.14144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=C(C=CC(=C2)OC)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=C(C=CC(=C2)OC)Br)C(=O)O

InChI

InChI=1S/C13H11BrN2O4/c1-6-10(13(18)19)12(17)16-11(15-6)8-5-7(20-2)3-4-9(8)14/h3-5H,1-2H3,(H,18,19)(H,15,16,17)