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

Systemtic Name: 3-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H15N3O5S3 MolecularWeight: 473.5452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)SC=C2C5=CC=CS5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)SC=C2C5=CC=CS5

InChI

InChI=1S/C20H15N3O5S3/c1-22-19(24)16-14(15-3-2-4-29-15)9-30-18(16)21-20(22)31-8-12-6-13(23(25)26)5-11-7-27-10-28-17(11)12/h2-6,9H,7-8,10H2,1H3