N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]phenyl]-4-[[4-(trifluoromethyl)phenyl]amino]pyrrolo[2,3-d]pyrimidine-7-carboxamide

Systemtic Name: N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]phenyl]-4-[[4-(trifluoromethyl)phenyl]amino]pyrrolo[2,3-d]pyrimidine-7-carboxamide Openeye Name: N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]-4-[4-(trifluoromethyl)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxamide CAS Name: N-[2-methyl-5-[[[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]phenyl]-4-[4-(trifluoromethyl)anilino]-7-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]-4-[4-(trifluoromethyl)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxamide Traditional Name: N-[2-methyl-5-[[4-[(4-methylpiperazino)methyl]benzoyl]amino]phenyl]-4-[4-(trifluoromethyl)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxamide Formula: C34H33F3N8O2 MolecularWeight: 642.67343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC(=O)N4C=CC5=C4N=CN=C5NC6=CC=C(C=C6)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC(=O)N4C=CC5=C4N=CN=C5NC6=CC=C(C=C6)C(F)(F)F

InChI

InChI=1S/C34H33F3N8O2/c1-22-3-10-27(41-32(46)24-6-4-23(5-7-24)20-44-17-15-43(2)16-18-44)19-29(22)42-33(47)45-14-13-28-30(38-21-39-31(28)45)40-26-11-8-25(9-12-26)34(35,36)37/h3-14,19,21H,15-18,20H2,1-2H3,(H,41,46)(H,42,47)(H,38,39,40)