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

Systemtic Name: 5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]-3H-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)NC(=N2)CSCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

InChI

InChI=1S/C18H17N3O5S2/c1-9-10(2)28-18-15(9)17(22)19-14(20-18)7-27-6-12-4-13(21(23)24)3-11-5-25-8-26-16(11)12/h3-4H,5-8H2,1-2H3,(H,19,20,22)