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

Systemtic Name: 6-butan-2-ylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-nitrophenyl)-6-sec-butylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(butan-2-ylthio)-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-butan-2-ylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(4-nitrophenyl)-6-(sec-butylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O3S/c1-3-9(2)24-15-17-13-12(14(21)18-15)8-16-19(13)10-4-6-11(7-5-10)20(22)23/h4-9,16H,3H2,1-2H3