N-[3-[[6-[4-(dimethylamino)butylamino]-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[[6-[4-(dimethylamino)butylamino]-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[[6-[4-(dimethylamino)butylamino]-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[[6-[4-(dimethylamino)butylamino]-1-methyl-3-pyrazolo[3,4-d]pyrimidinyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[[6-[4-(dimethylamino)butylamino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[[6-[4-(dimethylamino)butylamino]-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C27H31F3N8O MolecularWeight: 540.58325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=NN(C4=NC(=NC=C34)NCCCCN(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=NN(C4=NC(=NC=C34)NCCCCN(C)C)C

InChI

InChI=1S/C27H31F3N8O/c1-17-10-11-20(33-25(39)18-8-7-9-19(14-18)27(28,29)30)15-22(17)34-23-21-16-32-26(35-24(21)38(4)36-23)31-12-5-6-13-37(2)3/h7-11,14-16H,5-6,12-13H2,1-4H3,(H,33,39)(H,34,36)(H,31,32,35)