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

Systemtic Name: 5-(furan-2-yl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H15N3O6S2 MolecularWeight: 457.4796

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSCC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSCC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S2/c24-19-17-14(15-2-1-3-28-15)8-31-20(17)22-16(21-19)9-30-7-12-5-13(23(25)26)4-11-6-27-10-29-18(11)12/h1-5,8H,6-7,9-10H2,(H,21,22,24)