3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride

Systemtic Name: 3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride CAS Name: 3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]benzoic acid hydrochloride IUPAC Name: 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2.ClH/c1-12-19-16(13-6-3-2-4-7-13)11-17(20-12)21-15-9-5-8-14(10-15)18(22)23;/h2-11H,1H3,(H,22,23)(H,19,20,21);1H