dimethyl 5-[[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate hydrochloride

Systemtic Name: dimethyl 5-[[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate hydrochloride Openeye Name: dimethyl 5-[[2-methyl-6-(m-tolyl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate hydrochloride CAS Name: 5-[[2-methyl-6-(3-methylphenyl)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 5-[[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate hydrochloride Traditional Name: 5-[[2-methyl-6-(m-tolyl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=NC(=N2)C)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=NC(=N2)C)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC.Cl

InChI

InChI=1S/C22H21N3O4.ClH/c1-13-6-5-7-15(8-13)19-12-20(24-14(2)23-19)25-18-10-16(21(26)28-3)9-17(11-18)22(27)29-4;/h5-12H,1-4H3,(H,23,24,25);1H