3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCCCN3C(=O)C4=C(C=CS4)NC3=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCCCN3C(=O)C4=C(C=CS4)NC3=S

InChI

InChI=1S/C21H23N3O2S2/c25-18(23-12-9-15-6-3-4-7-16(15)14-23)8-2-1-5-11-24-20(26)19-17(10-13-28-19)22-21(24)27/h3-4,6-7,10,13H,1-2,5,8-9,11-12,14H2,(H,22,27)