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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-fluorophenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-(4-fluorophenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-fluorophenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-(4-fluorophenyl)-2-(piperonylthio)thieno[2,3-d]pyrimidin-4-one Formula: C23H17FN2O3S2 MolecularWeight: 452.521083

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=C(C=C5)F

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=C(C=C5)F

InChI

InChI=1S/C23H17FN2O3S2/c1-2-9-26-22(27)20-17(15-4-6-16(24)7-5-15)12-30-21(20)25-23(26)31-11-14-3-8-18-19(10-14)29-13-28-18/h2-8,10,12H,1,9,11,13H2