2,5,6-trimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine

Systemtic Name: 2,5,6-trimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Openeye Name: 2,5,6-trimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine CAS Name: 2,5,6-trimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidine IUPAC Name: 2,5,6-trimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Traditional Name: 2,5,6-trimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidine Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S2/c1-9-10(2)27-18-15(9)17(19-11(3)20-18)26-7-13-5-14(21(22)23)4-12-6-24-8-25-16(12)13/h4-5H,6-8H2,1-3H3