(4S)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Systemtic Name: (4S)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: (4S)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-(2-thienyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: (4S)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: (4S)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: (4S)-6-homoveratryl-1-methyl-4-(2-thienyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(NC1=O)C3=CC=CS3)C(=O)N(C2)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=C([C@H](NC1=O)C3=CC=CS3)C(=O)N(C2)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-23-14-12-24(9-8-13-6-7-15(27-2)16(11-13)28-3)20(25)18(14)19(22-21(23)26)17-5-4-10-29-17/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,22,26)/t19-/m1/s1