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

Systemtic Name: 1-(4-nitrophenyl)-6-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-benzylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-nitrophenyl)-6-(phenylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(benzylthio)-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O3S/c24-17-15-10-19-22(13-6-8-14(9-7-13)23(25)26)16(15)20-18(21-17)27-11-12-4-2-1-3-5-12/h1-10,19H,11H2