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

Systemtic Name: 3-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O5S3 MolecularWeight: 487.57178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)SC=C2C5=CC=CS5

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)SC=C2C5=CC=CS5

InChI

InChI=1S/C21H17N3O5S3/c1-2-23-20(25)17-15(16-4-3-5-30-16)10-31-19(17)22-21(23)32-9-13-7-14(24(26)27)6-12-8-28-11-29-18(12)13/h3-7,10H,2,8-9,11H2,1H3