3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide

Systemtic Name: 3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide Openeye Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide CAS Name: 3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-[3-(methylthio)phenyl]benzamide IUPAC Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide Traditional Name: N-[3-(methylthio)phenyl]-3-[[2-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C25H23N5OS MolecularWeight: 441.54802

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5OS/c1-17-6-3-8-19(14-17)29-25-26-13-12-23(30-25)27-20-9-4-7-18(15-20)24(31)28-21-10-5-11-22(16-21)32-2/h3-16H,1-2H3,(H,28,31)(H2,26,27,29,30)