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

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C24H19FN2O3S2 MolecularWeight: 466.547663

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)F)COCO4)SC=C2C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)F)COCO4)SC=C2C5=CC=CC=C5

InChI

InChI=1S/C24H19FN2O3S2/c1-2-8-27-23(28)20-19(15-6-4-3-5-7-15)13-31-22(20)26-24(27)32-12-17-10-18(25)9-16-11-29-14-30-21(16)17/h2-7,9-10,13H,1,8,11-12,14H2