2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-5-ethyl-3,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-5-ethyl-3,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-ethyl-3,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-5-ethyl-3,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C)C

InChI

InChI=1S/C21H23N3O2S2/c1-4-16-13(2)28-19-18(16)20(26)23(3)21(22-19)27-12-17(25)24-10-9-14-7-5-6-8-15(14)11-24/h5-8H,4,9-12H2,1-3H3