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

Systemtic Name: 3-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)SC=C2

InChI

InChI=1S/C16H13N3O5S2/c1-18-15(20)12-2-3-25-14(12)17-16(18)26-7-10-5-11(19(21)22)4-9-6-23-8-24-13(9)10/h2-5H,6-8H2,1H3