2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(furan-2-yl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(furan-2-yl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-furyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(furan-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-(2-furyl)-2-(piperonylthio)thieno[2,3-d]pyrimidin-4-one Formula: C21H16N2O4S2 MolecularWeight: 424.49274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CO5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CO5

InChI

InChI=1S/C21H16N2O4S2/c1-2-7-23-20(24)18-14(15-4-3-8-25-15)11-28-19(18)22-21(23)29-10-13-5-6-16-17(9-13)27-12-26-16/h2-6,8-9,11H,1,7,10,12H2