4-methyl-3-[[5-[6-(methylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]-N-[2-(2-oxidanylidenepyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-methyl-3-[[5-[6-(methylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]-N-[2-(2-oxidanylidenepyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-methyl-3-[[5-[6-(methylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]-N-[2-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]benzamide CAS Name: 4-methyl-3-[[5-[6-(methylamino)-4-pyrimidinyl]-4-pyrimidinyl]amino]-N-[2-(2-oxo-1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-methyl-3-[[5-[6-(methylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]-N-[2-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]benzamide Traditional Name: N-[2-(2-ketopyrrolidino)-5-(trifluoromethyl)phenyl]-4-methyl-3-[[5-[6-(methylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]benzamide Formula: C28H25F3N8O2 MolecularWeight: 562.54571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3=O)NC4=NC=NC=C4C5=CC(=NC=N5)NC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3=O)NC4=NC=NC=C4C5=CC(=NC=N5)NC

InChI

InChI=1S/C28H25F3N8O2/c1-16-5-6-17(10-20(16)37-26-19(13-33-14-36-26)21-12-24(32-2)35-15-34-21)27(41)38-22-11-18(28(29,30)31)7-8-23(22)39-9-3-4-25(39)40/h5-8,10-15H,3-4,9H2,1-2H3,(H,38,41)(H,32,34,35)(H,33,36,37)