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

Systemtic Name: 3-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbonylamino]phenyl]-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]benzoic acid Openeye Name: 3-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]benzoic acid CAS Name: 3-[[1-methyl-3-[2-methyl-5-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]benzoic acid IUPAC Name: 3-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]benzoic acid Traditional Name: 3-[[2-keto-1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]benzoic acid Formula: C29H23F3N6O4 MolecularWeight: 576.52593

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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)C)NC5=CC=CC(=C5)C(=O)O

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)C)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C29H23F3N6O4/c1-16-9-10-22(34-25(39)17-5-3-7-20(11-17)29(30,31)32)13-23(16)38-15-19-14-33-27(36-24(19)37(2)28(38)42)35-21-8-4-6-18(12-21)26(40)41/h3-14H,15H2,1-2H3,(H,34,39)(H,40,41)(H,33,35,36)