2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H21N3O2S3 MolecularWeight: 467.62674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C4C3)SC=C2C5=CC=CS5

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C4C3)SC=C2C5=CC=CS5

InChI

InChI=1S/C23H21N3O2S3/c1-2-26-22(28)20-17(18-8-5-11-29-18)13-30-21(20)24-23(26)31-14-19(27)25-10-9-15-6-3-4-7-16(15)12-25/h3-8,11,13H,2,9-10,12,14H2,1H3