3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-methyl-N-phenethyl-benzamide

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-methyl-N-phenethyl-benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-methyl-N-phenethyl-benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-methyl-N-phenethylbenzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-methyl-N-phenethylbenzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-methyl-N-phenethyl-benzamide Formula: C26H24BrN5O MolecularWeight: 502.40566

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H24BrN5O/c1-32(14-13-19-7-3-2-4-8-19)26(33)20-9-5-11-22(15-20)30-24-17-25(29-18-28-24)31-23-12-6-10-21(27)16-23/h2-12,15-18H,13-14H2,1H3,(H2,28,29,30,31)