methyl 3-[[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]amino]benzoate hydrochloride

Systemtic Name: methyl 3-[[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]amino]benzoate hydrochloride Openeye Name: methyl 3-[[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]amino]benzoate hydrochloride CAS Name: 3-[[6-(4-methoxyphenyl)-2-methyl-4-pyrimidinyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate hydrochloride Traditional Name: 3-[[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]amino]benzoic acid methyl ester hydrochloride Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3.ClH/c1-13-21-18(14-7-9-17(25-2)10-8-14)12-19(22-13)23-16-6-4-5-15(11-16)20(24)26-3;/h4-12H,1-3H3,(H,21,22,23);1H