N-[3-[7-[(2-ethylpyrazol-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-ethylpyrazol-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-ethylpyrazol-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-ethyl-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-ethylpyrazol-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-ethylpyrazol-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:

CCN1C(=CC=N1)NC2=NC=C3CN(C(=O)N(C3=N2)C)C4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)C

Isomeric SMILES

CCN1C(=CC=N1)NC2=NC=C3CN(C(=O)N(C3=N2)C)C4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)C

InChI

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