3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxidanylidene-pentyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxidanylidene-pentyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxo-pentyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-keto-pentyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCCN3C(=O)C4=C(C=CS4)NC3=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCCN3C(=O)C4=C(C=CS4)NC3=S

InChI

InChI=1S/C20H21N3O2S2/c24-17(22-11-8-14-5-1-2-6-15(14)13-22)7-3-4-10-23-19(25)18-16(9-12-27-18)21-20(23)26/h1-2,5-6,9,12H,3-4,7-8,10-11,13H2,(H,21,26)