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

Systemtic Name: 1-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrazolo[3,4-d]pyrimidine Formula: C15H13N5O4S MolecularWeight: 359.35982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C15H13N5O4S/c1-19-14-12(4-18-19)15(17-7-16-14)25-6-10-3-11(20(21)22)2-9-5-23-8-24-13(9)10/h2-4,7H,5-6,8H2,1H3