6-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-[2,4,5-tris(fluoranyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Systemtic Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-[2,4,5-tris(fluoranyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-(2,4,5-trifluorophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-(2,4,5-trifluorophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-(2,4,5-trifluorophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 6-homoveratryl-1-methyl-4-(2,4,5-trifluorophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C23H22F3N3O4 MolecularWeight: 461.43369

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(NC1=O)C3=CC(=C(C=C3F)F)F)C(=O)N(C2)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=C(C(NC1=O)C3=CC(=C(C=C3F)F)F)C(=O)N(C2)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H22F3N3O4/c1-28-17-11-29(7-6-12-4-5-18(32-2)19(8-12)33-3)22(30)20(17)21(27-23(28)31)13-9-15(25)16(26)10-14(13)24/h4-5,8-10,21H,6-7,11H2,1-3H3,(H,27,31)