3-ethyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H17FN2O3S3 MolecularWeight: 460.564683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)F)COCO4)SC=C2C5=CC=CS5

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)F)COCO4)SC=C2C5=CC=CS5

InChI

InChI=1S/C21H17FN2O3S3/c1-2-24-20(25)17-15(16-4-3-5-28-16)10-29-19(17)23-21(24)30-9-13-7-14(22)6-12-8-26-11-27-18(12)13/h3-7,10H,2,8-9,11H2,1H3