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

Systemtic Name: 5-bromanyl-2-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 5-bromo-2-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride CAS Name: 5-bromo-2-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]benzoic acid hydrochloride IUPAC Name: 5-bromo-2-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 5-bromo-2-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]benzoic acid hydrochloride Formula: C13H13BrClN3O2S MolecularWeight: 390.68322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=C(C=C(C=C2)Br)C(=O)O.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=C(C=C(C=C2)Br)C(=O)O.Cl

InChI

InChI=1S/C13H12BrN3O2S.ClH/c1-7-5-11(17-13(15-7)20-2)16-10-4-3-8(14)6-9(10)12(18)19;/h3-6H,1-2H3,(H,18,19)(H,15,16,17);1H