3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]-1H-benzothiopheno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benz[g]isoindol-1-yl)ethyl]-1H-benzothiopheno[3,2-d]pyrimidine-2,4-quinone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CCC3C2C(NC3)CCN4C(=O)C5=C(C6=CC=CC=C6S5)NC4=O

Isomeric SMILES

COC1=CC=CC2=C1CCC3C2C(NC3)CCN4C(=O)C5=C(C6=CC=CC=C6S5)NC4=O

InChI

InChI=1S/C25H25N3O3S/c1-31-19-7-4-6-16-15(19)10-9-14-13-26-18(21(14)16)11-12-28-24(29)23-22(27-25(28)30)17-5-2-3-8-20(17)32-23/h2-8,14,18,21,26H,9-13H2,1H3,(H,27,30)