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

Systemtic Name: ethyl 3-[(6-phenylpyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: ethyl 3-[(6-phenylpyrimidin-4-yl)amino]benzoate hydrochloride CAS Name: 3-[(6-phenyl-4-pyrimidinyl)amino]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[(6-phenylpyrimidin-4-yl)amino]benzoate hydrochloride Traditional Name: 3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid ethyl ester hydrochloride Formula: C19H18ClN3O2 MolecularWeight: 355.81812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2.ClH/c1-2-24-19(23)15-9-6-10-16(11-15)22-18-12-17(20-13-21-18)14-7-4-3-5-8-14;/h3-13H,2H2,1H3,(H,20,21,22);1H