3-(2-bromophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxidanylidene-4,5-dihydropyrimidine-4-carboxylic acid

Systemtic Name: 3-(2-bromophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxidanylidene-4,5-dihydropyrimidine-4-carboxylic acid Openeye Name: 3-(2-bromophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-4,5-dihydropyrimidine-4-carboxylic acid CAS Name: 3-(2-bromophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-6-oxo-4,5-dihydropyrimidine-4-carboxylic acid IUPAC Name: 3-(2-bromophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-4,5-dihydropyrimidine-4-carboxylic acid Traditional Name: 3-(2-bromophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-keto-4,5-dihydropyrimidine-4-carboxylic acid Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=NC(=O)CC(N2C3=CC=CC=C3Br)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=NC(=O)CC(N2C3=CC=CC=C3Br)C(=O)O)C

InChI

InChI=1S/C17H16BrN5O3/c1-9-7-10(2)20-16(19-9)22-17-21-14(24)8-13(15(25)26)23(17)12-6-4-3-5-11(12)18/h3-7,13H,8H2,1-2H3,(H,25,26)(H,19,20,21,22,24)