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

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=S

InChI

InChI=1S/C19H19N3O2S2/c23-16(21-10-7-13-4-1-2-5-14(13)12-21)6-3-9-22-18(24)17-15(8-11-26-17)20-19(22)25/h1-2,4-5,8,11H,3,6-7,9-10,12H2,(H,20,25)