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

Systemtic Name: 5-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid hydrochloride Openeye Name: 2-hydroxy-5-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride CAS Name: 2-hydroxy-5-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]benzoic acid hydrochloride IUPAC Name: 2-hydroxy-5-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 2-hydroxy-5-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC(=C(C=C2)O)C(=O)O)C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC(=C(C=C2)O)C(=O)O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C18H15N3O3.ClH/c1-11-19-15(12-5-3-2-4-6-12)10-17(20-11)21-13-7-8-16(22)14(9-13)18(23)24;/h2-10,22H,1H3,(H,23,24)(H,19,20,21);1H