3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(1-methyl-4-piperidyl)benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-(1-methyl-4-piperidinyl)benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(1-methyl-4-piperidyl)benzamide Formula: C23H25BrN6O MolecularWeight: 481.3882

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H25BrN6O/c1-30-10-8-18(9-11-30)29-23(31)16-4-2-6-19(12-16)27-21-14-22(26-15-25-21)28-20-7-3-5-17(24)13-20/h2-7,12-15,18H,8-11H2,1H3,(H,29,31)(H2,25,26,27,28)