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

Systemtic Name: 3-ethyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)SC(=C2C)C

InChI

InChI=1S/C19H19N3O5S2/c1-4-21-18(23)15-10(2)11(3)29-17(15)20-19(21)28-8-13-6-14(22(24)25)5-12-7-26-9-27-16(12)13/h5-6H,4,7-9H2,1-3H3