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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-ethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-ethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H23N3O2S2 MolecularWeight: 425.56692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3O2S2/c1-3-10-25-21(27)18-12-17(4-2)29-20(18)23-22(25)28-14-19(26)24-11-9-15-7-5-6-8-16(15)13-24/h3,5-8,12H,1,4,9-11,13-14H2,2H3