3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one dihydrochloride

Systemtic Name: 3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one dihydrochloride Openeye Name: 3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one dihydrochloride CAS Name: 3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]-4-thieno[2,3-d]pyrimidinone dihydrochloride IUPAC Name: 3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one dihydrochloride Traditional Name: 3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benz[g]isoindol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one dihydrochloride Formula: C21H25Cl2N3O2S MolecularWeight: 454.4131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CCC3C2C(NC3)CCN4C=NC5=C(C4=O)C=CS5.Cl.Cl

Isomeric SMILES

COC1=CC=CC2=C1CCC3C2C(NC3)CCN4C=NC5=C(C4=O)C=CS5.Cl.Cl

InChI

InChI=1S/C21H23N3O2S.2ClH/c1-26-18-4-2-3-15-14(18)6-5-13-11-22-17(19(13)15)7-9-24-12-23-20-16(21(24)25)8-10-27-20;;/h2-4,8,10,12-13,17,19,22H,5-7,9,11H2,1H3;2*1H