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

Systemtic Name: N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide Openeye Name: N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide CAS Name: N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide IUPAC Name: N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide Traditional Name: N-[1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]propionamide Formula: C22H25F3N4O6 MolecularWeight: 498.45231

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CCC3=CC(=C(C=C3)OCC)OCC)C(F)(F)F

Isomeric SMILES

CCC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CCC3=CC(=C(C=C3)OCC)OCC)C(F)(F)F

InChI

InChI=1S/C22H25F3N4O6/c1-4-15(30)28-21(22(23,24)25)16-17(26-19(21)32)29(20(33)27-18(16)31)10-9-12-7-8-13(34-5-2)14(11-12)35-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,26,32)(H,28,30)(H,27,31,33)