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

Systemtic Name: 3,6-diethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,6-diethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,6-diethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,6-diethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,6-diethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H19N3O5S2/c1-3-14-7-15-17(29-14)20-19(21(4-2)18(15)23)28-9-12-6-13(22(24)25)5-11-8-26-10-27-16(11)12/h5-7H,3-4,8-10H2,1-2H3