N-[3-[7-[(2,5-dimethylpyrazol-3-yl)amino]-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[7-[(2,5-dimethylpyrazol-3-yl)amino]-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[7-[(2,5-dimethylpyrazol-3-yl)amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[7-[(2,5-dimethyl-3-pyrazolyl)amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[7-[(2,5-dimethylpyrazol-3-yl)amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[7-[(2,5-dimethylpyrazol-3-yl)amino]-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C27H25F3N8O2 MolecularWeight: 550.53501

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)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CC(=NN5C)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)C)NC5=CC(=NN5C)C

InChI

InChI=1S/C27H25F3N8O2/c1-15-8-9-20(32-24(39)17-6-5-7-19(11-17)27(28,29)30)12-21(15)38-14-18-13-31-25(34-23(18)36(3)26(38)40)33-22-10-16(2)35-37(22)4/h5-13H,14H2,1-4H3,(H,32,39)(H,31,33,34)