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

Systemtic Name: 3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide Openeye Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide CAS Name: 3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]-N-[3-(methylthio)phenyl]benzamide IUPAC Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide Traditional Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-[3-(methylthio)phenyl]benzamide Formula: C26H25N5OS MolecularWeight: 455.5746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C26H25N5OS/c1-18-7-4-11-22(13-18)31(2)25-16-24(27-17-28-25)29-20-9-5-8-19(14-20)26(32)30-21-10-6-12-23(15-21)33-3/h4-17H,1-3H3,(H,30,32)(H,27,28,29)