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

Systemtic Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-thieno[2,3-d]pyrimidine Formula: C21H15N3O4S2 MolecularWeight: 437.4915

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S2/c25-24(26)16-6-14-8-27-12-28-19(14)15(7-16)9-29-20-18-17(13-4-2-1-3-5-13)10-30-21(18)23-11-22-20/h1-7,10-11H,8-9,12H2