4-methylsulfanyl-3-(3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-methylsulfanyl-3-(3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-methylsulfanyl-3-(3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(methylthio)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-methylsulfanyl-3-(3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(methylthio)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=NNC(=C21)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC=NC2=NNC(=C21)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S/c1-20-12-9-10(15-16-11(9)13-6-14-12)7-3-2-4-8(5-7)17(18)19/h2-6H,1H3,(H,13,14,15,16)