N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide

Systemtic Name: N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide Openeye Name: N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide CAS Name: N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide IUPAC Name: N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide Traditional Name: N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide Formula: C26H25F3N4O6 MolecularWeight: 546.49511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CC=C4)OCC

InChI

InChI=1S/C26H25F3N4O6/c1-3-38-17-11-10-15(14-18(17)39-4-2)12-13-33-20-19(22(35)31-24(33)37)25(23(36)30-20,26(27,28)29)32-21(34)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,30,36)(H,32,34)(H,31,35,37)