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

Systemtic Name: 5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)CC=C)C

InChI

InChI=1S/C20H19N3O5S2/c1-4-5-22-19(24)16-11(2)12(3)30-18(16)21-20(22)29-9-14-7-15(23(25)26)6-13-8-27-10-28-17(13)14/h4,6-7H,1,5,8-10H2,2-3H3