methyl 3-[(6-phenylpyrimidin-4-yl)amino]benzoate hydrochloride

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2)C3=CC=CC=C3.Cl

InChI

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