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

Systemtic Name: N-[1-(4-methoxyphenyl)-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide Openeye Name: N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide CAS Name: N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide IUPAC Name: N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide Traditional Name: N-[2,4,6-triketo-1-(4-methoxyphenyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide Formula: C21H21F3N4O5 MolecularWeight: 466.41045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4CCCCC4

InChI

InChI=1S/C21H21F3N4O5/c1-33-13-9-7-12(8-10-13)28-15-14(17(30)26-19(28)32)20(18(31)25-15,21(22,23)24)27-16(29)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,25,31)(H,27,29)(H,26,30,32)