3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(2-methylbutan-2-yl)benzamide

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(2-methylbutan-2-yl)benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(1,1-dimethylpropyl)benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-(2-methylbutan-2-yl)benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(2-methylbutan-2-yl)benzamide Traditional Name: N-tert-amyl-3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzamide Formula: C22H24BrN5O MolecularWeight: 454.36286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=CC(=CC=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCC(C)(C)NC(=O)C1=CC(=CC=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H24BrN5O/c1-4-22(2,3)28-21(29)15-7-5-9-17(11-15)26-19-13-20(25-14-24-19)27-18-10-6-8-16(23)12-18/h5-14H,4H2,1-3H3,(H,28,29)(H2,24,25,26,27)