1-(3-nitrophenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)ethanone Openeye Name: 1-(3-nitrophenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)ethanone CAS Name: 1-(3-nitrophenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)ethanone IUPAC Name: 1-(3-nitrophenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)ethanone Traditional Name: 1-(3-nitrophenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)ethanone Formula: C13H9N5O3S MolecularWeight: 315.30726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=NC3=C2C=NN3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C13H9N5O3S/c19-11(8-2-1-3-9(4-8)18(20)21)6-22-13-10-5-16-17-12(10)14-7-15-13/h1-5,7H,6H2,(H,14,15,16,17)