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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-phenyl-2-(piperonylthio)thieno[2,3-d]pyrimidin-4-one Formula: C23H18N2O3S2 MolecularWeight: 434.53062

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O3S2/c1-2-10-25-22(26)20-17(16-6-4-3-5-7-16)13-29-21(20)24-23(25)30-12-15-8-9-18-19(11-15)28-14-27-18/h2-9,11,13H,1,10,12,14H2