4-[[4-(2-cyanoethyl)-2,6-dimethyl-phenyl]amino]-2-[(4-cyanophenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 4-[[4-(2-cyanoethyl)-2,6-dimethyl-phenyl]amino]-2-[(4-cyanophenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-(4-cyanoanilino)-4-[4-(2-cyanoethyl)-2,6-dimethyl-anilino]pyrimidine-5-carboxamide CAS Name: 2-(4-cyanoanilino)-4-[4-(2-cyanoethyl)-2,6-dimethylanilino]-5-pyrimidinecarboxamide IUPAC Name: 2-(4-cyanoanilino)-4-[4-(2-cyanoethyl)-2,6-dimethylanilino]pyrimidine-5-carboxamide Traditional Name: 2-(4-cyanoanilino)-4-[4-(2-cyanoethyl)-2,6-dimethyl-anilino]pyrimidine-5-carboxamide Formula: C23H21N7O MolecularWeight: 411.45914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)C#N)C)CCC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)C#N)C)CCC#N

InChI

InChI=1S/C23H21N7O/c1-14-10-17(4-3-9-24)11-15(2)20(14)29-22-19(21(26)31)13-27-23(30-22)28-18-7-5-16(12-25)6-8-18/h5-8,10-11,13H,3-4H2,1-2H3,(H2,26,31)(H2,27,28,29,30)