methyl 6-[(4-cyano-2,6-dimethyl-phenyl)amino]-2-[(4-cyanophenyl)amino]pyrimidine-4-carboxylate

Systemtic Name: methyl 6-[(4-cyano-2,6-dimethyl-phenyl)amino]-2-[(4-cyanophenyl)amino]pyrimidine-4-carboxylate Openeye Name: methyl 2-(4-cyanoanilino)-6-(4-cyano-2,6-dimethyl-anilino)pyrimidine-4-carboxylate CAS Name: 2-(4-cyanoanilino)-6-(4-cyano-2,6-dimethylanilino)-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanoanilino)-6-(4-cyano-2,6-dimethylanilino)pyrimidine-4-carboxylate Traditional Name: 2-(4-cyanoanilino)-6-(4-cyano-2,6-dimethyl-anilino)pyrimidine-4-carboxylic acid methyl ester Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC(=C2)C(=O)OC)NC3=CC=C(C=C3)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC(=C2)C(=O)OC)NC3=CC=C(C=C3)C#N)C)C#N

InChI

InChI=1S/C22H18N6O2/c1-13-8-16(12-24)9-14(2)20(13)27-19-10-18(21(29)30-3)26-22(28-19)25-17-6-4-15(11-23)5-7-17/h4-10H,1-3H3,(H2,25,26,27,28)