3-[[3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]phenyl]carbonylamino]benzamide

Systemtic Name: 3-[[3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]phenyl]carbonylamino]benzamide Openeye Name: 3-[[3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzoyl]amino]benzamide CAS Name: 3-[[[3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]phenyl]-oxomethyl]amino]benzamide IUPAC Name: 3-[[3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzoyl]amino]benzamide Traditional Name: 3-[[3-[[2-(m-toluidino)pyrimidin-4-yl]amino]benzoyl]amino]benzamide Formula: C25H22N6O2 MolecularWeight: 438.48118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C25H22N6O2/c1-16-5-2-8-19(13-16)30-25-27-12-11-22(31-25)28-20-9-4-7-18(15-20)24(33)29-21-10-3-6-17(14-21)23(26)32/h2-15H,1H3,(H2,26,32)(H,29,33)(H2,27,28,30,31)