3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-8-methyl-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-8-methyl-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-8-methyl-1H-benzothiopheno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-8-methyl-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-8-methyl-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenz[e]isoindol-2-yl]ethyl]-8-methyl-1H-benzothiopheno[3,2-d]pyrimidine-2,4-quinone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C2NC(=O)N(C3=O)CCN4CC5CCC6=C(C5C4)C=CC=C6OC

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C2NC(=O)N(C3=O)CCN4C[C@@H]5CCC6=C([C@@H]5C4)C=CC=C6OC

InChI

InChI=1S/C26H27N3O3S/c1-15-6-9-22-19(12-15)23-24(33-22)25(30)29(26(31)27-23)11-10-28-13-16-7-8-18-17(20(16)14-28)4-3-5-21(18)32-2/h3-6,9,12,16,20H,7-8,10-11,13-14H2,1-2H3,(H,27,31)/t16-,20+/m0/s1