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

Systemtic Name: 3,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C)C

InChI

InChI=1S/C18H17N3O5S2/c1-9-10(2)28-16-14(9)17(22)20(3)18(19-16)27-7-12-5-13(21(23)24)4-11-6-25-8-26-15(11)12/h4-5H,6-8H2,1-3H3