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

Systemtic Name: 5-bromanyl-2-[(4-cyanophenyl)amino]-6-[(2,4,6-trimethylphenyl)amino]pyrimidine-4-carboxamide Openeye Name: 5-bromo-2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-(4-cyanoanilino)-6-mesidino-pyrimidine-4-carboxamide Formula: C21H19BrN6O MolecularWeight: 451.31916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(=NC(=C2Br)C(=O)N)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(=NC(=C2Br)C(=O)N)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H19BrN6O/c1-11-8-12(2)17(13(3)9-11)26-20-16(22)18(19(24)29)27-21(28-20)25-15-6-4-14(10-23)5-7-15/h4-9H,1-3H3,(H2,24,29)(H2,25,26,27,28)