1-methyl-6-(2-oxidanylideneazepan-3-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Systemtic Name: 1-methyl-6-(2-oxidanylideneazepan-3-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 1-methyl-6-(2-oxoazepan-3-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 1-methyl-6-(2-oxo-3-azepanyl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 1-methyl-6-(2-oxoazepan-3-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 6-(2-ketoazepan-3-yl)-1-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C20H21F3N4O3 MolecularWeight: 422.40095

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(NC1=O)C3=CC=CC=C3C(F)(F)F)C(=O)N(C2)C4CCCCNC4=O

Isomeric SMILES

CN1C2=C(C(NC1=O)C3=CC=CC=C3C(F)(F)F)C(=O)N(C2)C4CCCCNC4=O

InChI

InChI=1S/C20H21F3N4O3/c1-26-14-10-27(13-8-4-5-9-24-17(13)28)18(29)15(14)16(25-19(26)30)11-6-2-3-7-12(11)20(21,22)23/h2-3,6-7,13,16H,4-5,8-10H2,1H3,(H,24,28)(H,25,30)