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

Systemtic Name: 3-cyclopentyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-cyclopentyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-cyclopentyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-cyclopentyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-cyclopentyl-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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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)C5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5CCCC5)C

InChI

InChI=1S/C22H23N3O5S2/c1-12-13(2)32-20-18(12)21(26)24(16-5-3-4-6-16)22(23-20)31-10-15-8-17(25(27)28)7-14-9-29-11-30-19(14)15/h7-8,16H,3-6,9-11H2,1-2H3