3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-7-methyl-1H-thieno[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]-7-methyl-1H-thieno[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]-7-methyl-1H-thieno[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]-7-methyl-1H-thieno[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]-7-methyl-1H-thieno[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]-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=C1NC(=O)N(C2=O)CCN3CC4CCC5=C(C4C3)C=CC=C5OC

Isomeric SMILES

CC1=CSC2=C1NC(=O)N(C2=O)CCN3C[C@@H]4CCC5=C([C@@H]4C3)C=CC=C5OC

InChI

InChI=1S/C22H25N3O3S/c1-13-12-29-20-19(13)23-22(27)25(21(20)26)9-8-24-10-14-6-7-16-15(17(14)11-24)4-3-5-18(16)28-2/h3-5,12,14,17H,6-11H2,1-2H3,(H,23,27)/t14-,17+/m0/s1