3-fluoranyl-N-[4-[(2-methylphenyl)amino]-2-methylsulfanyl-pyrimidin-5-yl]-5-morpholin-4-yl-benzamide

Systemtic Name: 3-fluoranyl-N-[4-[(2-methylphenyl)amino]-2-methylsulfanyl-pyrimidin-5-yl]-5-morpholin-4-yl-benzamide Openeye Name: 3-fluoro-N-[4-(2-methylanilino)-2-methylsulfanyl-pyrimidin-5-yl]-5-morpholino-benzamide CAS Name: 3-fluoro-N-[4-(2-methylanilino)-2-(methylthio)-5-pyrimidinyl]-5-(4-morpholinyl)benzamide IUPAC Name: 3-fluoro-N-[4-(2-methylanilino)-2-methylsulfanylpyrimidin-5-yl]-5-morpholin-4-ylbenzamide Traditional Name: 3-fluoro-N-[2-(methylthio)-4-(o-toluidino)pyrimidin-5-yl]-5-morpholino-benzamide Formula: C23H24FN5O2S MolecularWeight: 453.532363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC=C2NC(=O)C3=CC(=CC(=C3)F)N4CCOCC4)SC

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC=C2NC(=O)C3=CC(=CC(=C3)F)N4CCOCC4)SC

InChI

InChI=1S/C23H24FN5O2S/c1-15-5-3-4-6-19(15)26-21-20(14-25-23(28-21)32-2)27-22(30)16-11-17(24)13-18(12-16)29-7-9-31-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,27,30)(H,25,26,28)