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

Systemtic Name: N-(4-acetamidophenyl)-3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: N-(4-acetamidophenyl)-3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N-(4-acetamidophenyl)-3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(4-acetamidophenyl)-3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(4-acetamidophenyl)-3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzamide Formula: C25H21BrN6O2 MolecularWeight: 517.37724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H21BrN6O2/c1-16(33)29-19-8-10-20(11-9-19)32-25(34)17-4-2-6-21(12-17)30-23-14-24(28-15-27-23)31-22-7-3-5-18(26)13-22/h2-15H,1H3,(H,29,33)(H,32,34)(H2,27,28,30,31)