3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid hydrochloride

Systemtic Name: 3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid hydrochloride CAS Name: 3-[(6-phenyl-4-pyrimidinyl)amino]benzoic acid hydrochloride IUPAC Name: 3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid hydrochloride Formula: C17H14ClN3O2 MolecularWeight: 327.76496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=CC(=C3)C(=O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=CC(=C3)C(=O)O.Cl

InChI

InChI=1S/C17H13N3O2.ClH/c21-17(22)13-7-4-8-14(9-13)20-16-10-15(18-11-19-16)12-5-2-1-3-6-12;/h1-11H,(H,21,22)(H,18,19,20);1H