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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H17N3O5S3 MolecularWeight: 499.58248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5S3/c1-2-5-24-21(26)18-16(17-4-3-6-31-17)11-32-20(18)23-22(24)33-10-14-8-15(25(27)28)7-13-9-29-12-30-19(13)14/h2-4,6-8,11H,1,5,9-10,12H2