4-[[5-bromanyl-4-[(4-methoxyphenyl)amino]pyrimidin-2-yl]amino]benzoic acid hydrochloride

Systemtic Name: 4-[[5-bromanyl-4-[(4-methoxyphenyl)amino]pyrimidin-2-yl]amino]benzoic acid hydrochloride Openeye Name: 4-[[5-bromo-4-(4-methoxyanilino)pyrimidin-2-yl]amino]benzoic acid hydrochloride CAS Name: 4-[[5-bromo-4-(4-methoxyanilino)-2-pyrimidinyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[[5-bromo-4-(4-methoxyanilino)pyrimidin-2-yl]amino]benzoic acid hydrochloride Traditional Name: 4-[[5-bromo-4-(p-anisidino)pyrimidin-2-yl]amino]benzoic acid hydrochloride Formula: C18H16BrClN4O3 MolecularWeight: 451.70164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C(=O)O.Cl

InChI

InChI=1S/C18H15BrN4O3.ClH/c1-26-14-8-6-12(7-9-14)21-16-15(19)10-20-18(23-16)22-13-4-2-11(3-5-13)17(24)25;/h2-10H,1H3,(H,24,25)(H2,20,21,22,23);1H