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

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: N-benzyl-3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzamide Formula: C24H20BrN5O MolecularWeight: 474.3525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrN5O/c25-19-9-5-11-21(13-19)30-23-14-22(27-16-28-23)29-20-10-4-8-18(12-20)24(31)26-15-17-6-2-1-3-7-17/h1-14,16H,15H2,(H,26,31)(H2,27,28,29,30)