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

Systemtic Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Openeye Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine CAS Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidine IUPAC Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Traditional Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidine Formula: C15H11N3O4S2 MolecularWeight: 361.39554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC=NC4=C3C=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC=NC4=C3C=CS4)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S2/c19-18(20)11-3-9-5-21-8-22-13(9)10(4-11)6-24-15-12-1-2-23-14(12)16-7-17-15/h1-4,7H,5-6,8H2