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

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-[(3-methylphenyl)methyl]benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(m-tolylmethyl)benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-[(3-methylphenyl)methyl]benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-[(3-methylphenyl)methyl]benzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(3-methylbenzyl)benzamide Formula: C25H22BrN5O MolecularWeight: 488.37908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H22BrN5O/c1-17-5-2-6-18(11-17)15-27-25(32)19-7-3-9-21(12-19)30-23-14-24(29-16-28-23)31-22-10-4-8-20(26)13-22/h2-14,16H,15H2,1H3,(H,27,32)(H2,28,29,30,31)