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

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

CCC1=CC2=C(S1)N=CN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

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