2-[[5-bromanyl-2-[(2-carboxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[5-bromanyl-2-[(2-carboxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[5-bromo-2-(2-carboxyanilino)-6-methyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[5-bromo-2-(2-carboxyanilino)-6-methyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[5-bromo-2-(2-carboxyanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[5-bromo-2-(2-carboxyanilino)-6-methyl-pyrimidin-4-yl]amino]benzoic acid Formula: C19H15BrN4O4 MolecularWeight: 443.2508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O)Br

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O)Br

InChI

InChI=1S/C19H15BrN4O4/c1-10-15(20)16(22-13-8-4-2-6-11(13)17(25)26)24-19(21-10)23-14-9-5-3-7-12(14)18(27)28/h2-9H,1H3,(H,25,26)(H,27,28)(H2,21,22,23,24)