3-methylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-(methylthio)-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(methylthio)-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C12H9N5O3S MolecularWeight: 303.29656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=NC=NC2=O)N(N1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C2C(=NC=NC2=O)N(N1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O3S/c1-21-12-9-10(13-6-14-11(9)18)16(15-12)7-2-4-8(5-3-7)17(19)20/h2-6,15H,1H3