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

Systemtic Name: 5,6-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidine Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c1-9-10(2)26-17-14(9)16(18-7-19-17)25-6-12-4-13(20(21)22)3-11-5-23-8-24-15(11)12/h3-4,7H,5-6,8H2,1-2H3