5-[(4-cyanophenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]pyrimidine-2-carboxamide

Systemtic Name: 5-[(4-cyanophenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]pyrimidine-2-carboxamide Openeye Name: 5-(4-cyanoanilino)-4-(2,4,6-trimethylanilino)pyrimidine-2-carboxamide CAS Name: 5-(4-cyanoanilino)-4-(2,4,6-trimethylanilino)-2-pyrimidinecarboxamide IUPAC Name: 5-(4-cyanoanilino)-4-(2,4,6-trimethylanilino)pyrimidine-2-carboxamide Traditional Name: 5-(4-cyanoanilino)-4-mesidino-pyrimidine-2-carboxamide Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2NC3=CC=C(C=C3)C#N)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2NC3=CC=C(C=C3)C#N)C(=O)N)C

InChI

InChI=1S/C21H20N6O/c1-12-8-13(2)18(14(3)9-12)26-20-17(11-24-21(27-20)19(23)28)25-16-6-4-15(10-22)5-7-16/h4-9,11,25H,1-3H3,(H2,23,28)(H,24,26,27)