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

Systemtic Name: 2-[(6-nitro-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-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6-nitro-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-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C24H19N3O5S2 MolecularWeight: 493.55476

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)SC=C2C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)SC=C2C5=CC=CC=C5

InChI

InChI=1S/C24H19N3O5S2/c1-2-8-26-23(28)20-19(15-6-4-3-5-7-15)13-33-22(20)25-24(26)34-12-17-10-18(27(29)30)9-16-11-31-14-32-21(16)17/h2-7,9-10,13H,1,8,11-12,14H2