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

Systemtic Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O4S/c26-25(27)16-6-13-9-28-12-29-18(13)14(7-16)10-30-20-17-8-23-24(19(17)21-11-22-20)15-4-2-1-3-5-15/h1-8,11H,9-10,12H2