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

Systemtic Name: N-[2-[3-(dimethylamino)propyl-methyl-amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[[5-[6-(methylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]benzamide Openeye Name: N-[2-[3-(dimethylamino)propyl-methyl-amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[[5-[6-(methylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]benzamide CAS Name: N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[[5-[6-(methylamino)-4-pyrimidinyl]-4-pyrimidinyl]amino]benzamide IUPAC Name: N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[[5-[6-(methylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]benzamide Traditional Name: N-[2-[3-(dimethylamino)propyl-methyl-amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[[5-[6-(methylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]benzamide Formula: C30H34F3N9O MolecularWeight: 593.64587

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)N(C)CCCN(C)C)NC3=NC=NC=C3C4=CC(=NC=N4)NC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N(C)CCCN(C)C)NC3=NC=NC=C3C4=CC(=NC=N4)NC

InChI

InChI=1S/C30H34F3N9O/c1-19-7-8-20(13-23(19)39-28-22(16-35-17-38-28)24-15-27(34-2)37-18-36-24)29(43)40-25-14-21(30(31,32)33)9-10-26(25)42(5)12-6-11-41(3)4/h7-10,13-18H,6,11-12H2,1-5H3,(H,40,43)(H,34,36,37)(H,35,38,39)