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

Systemtic Name: dimethyl 5-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-13-22-18(14-7-5-4-6-8-14)12-19(23-13)24-17-10-15(20(25)27-2)9-16(11-17)21(26)28-3/h4-12H,1-3H3,(H,22,23,24)