2-[7-[(6-methylpyridin-3-yl)amino]-3-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbonylamino]phenyl]-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[7-[(6-methylpyridin-3-yl)amino]-3-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbonylamino]phenyl]-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[7-[(6-methyl-3-pyridyl)amino]-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]acetic acid CAS Name: 2-[3-[2-methyl-5-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]phenyl]-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]acetic acid IUPAC Name: 2-[7-[(6-methylpyridin-3-yl)amino]-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]acetic acid Traditional Name: 2-[2-keto-7-[(6-methyl-3-pyridyl)amino]-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-4H-pyrimido[4,5-d]pyrimidin-1-yl]acetic acid Formula: C29H24F3N7O4 MolecularWeight: 591.54057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)CC(=O)O)NC5=CN=C(C=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)CC(=O)O)NC5=CN=C(C=C5)C

InChI

InChI=1S/C29H24F3N7O4/c1-16-6-8-21(35-26(42)18-4-3-5-20(10-18)29(30,31)32)11-23(16)38-14-19-12-34-27(36-22-9-7-17(2)33-13-22)37-25(19)39(28(38)43)15-24(40)41/h3-13H,14-15H2,1-2H3,(H,35,42)(H,40,41)(H,34,36,37)