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

Systemtic Name: 6-ethylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-ethylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(ethylthio)-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-ethylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(ethylthio)-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c1-2-22-13-15-11-10(12(19)16-13)7-14-17(11)8-3-5-9(6-4-8)18(20)21/h3-7,14H,2H2,1H3