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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3O2S3 MolecularWeight: 453.60016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C4C3)SC=C2C5=CC=CS5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C4C3)SC=C2C5=CC=CS5

InChI

InChI=1S/C22H19N3O2S3/c1-24-21(27)19-16(17-7-4-10-28-17)12-29-20(19)23-22(24)30-13-18(26)25-9-8-14-5-2-3-6-15(14)11-25/h2-7,10,12H,8-9,11,13H2,1H3