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

Systemtic Name: 4-[(4-aminocarbonylphenyl)amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonylamino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide Openeye Name: 4-(4-carbamoylanilino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide CAS Name: 4-(4-carbamoylanilino)-N-[2-methyl-5-[[[3-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)phenyl]-oxomethyl]amino]phenyl]-7-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(4-carbamoylanilino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide Traditional Name: 4-(4-carbamoylanilino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide Formula: C33H26F3N9O3 MolecularWeight: 653.61325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC(=O)N4C=CC5=C4N=CN=C5NC6=CC=C(C=C6)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC(=O)N4C=CC5=C4N=CN=C5NC6=CC=C(C=C6)C(=O)N

InChI

InChI=1S/C33H26F3N9O3/c1-18-3-6-24(42-31(47)21-11-22(33(34,35)36)13-25(12-21)44-15-19(2)40-17-44)14-27(18)43-32(48)45-10-9-26-29(38-16-39-30(26)45)41-23-7-4-20(5-8-23)28(37)46/h3-17H,1-2H3,(H2,37,46)(H,42,47)(H,43,48)(H,38,39,41)