methyl 2-[(4-cyanophenyl)amino]-6-[(2,4,6-trimethylphenyl)amino]pyrimidine-4-carboxylate

Systemtic Name: methyl 2-[(4-cyanophenyl)amino]-6-[(2,4,6-trimethylphenyl)amino]pyrimidine-4-carboxylate Openeye Name: methyl 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxylate CAS Name: 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxylate Traditional Name: 2-(4-cyanoanilino)-6-mesidino-pyrimidine-4-carboxylic acid methyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(=NC(=C2)C(=O)OC)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(=NC(=C2)C(=O)OC)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H21N5O2/c1-13-9-14(2)20(15(3)10-13)26-19-11-18(21(28)29-4)25-22(27-19)24-17-7-5-16(12-23)6-8-17/h5-11H,1-4H3,(H2,24,25,26,27)