5-(4-methoxyphenyl)-6-[(5-nitro-2-oxidanyl-phenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-methoxyphenyl)-6-[(5-nitro-2-oxidanyl-phenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2-hydroxy-5-nitrophenyl)methylthio]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-hydroxy-5-nitro-benzyl)thio]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H15N5O5S MolecularWeight: 425.4179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H15N5O5S/c1-29-14-5-2-12(3-6-14)23-18(26)15-9-20-22-17(15)21-19(23)30-10-11-8-13(24(27)28)4-7-16(11)25/h2-9,25H,10H2,1H3,(H,20,22)