1-(2-oxidanyl-2-phenyl-ethyl)-6-propylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-oxidanyl-2-phenyl-ethyl)-6-propylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-hydroxy-2-phenyl-ethyl)-6-propylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxy-2-phenylethyl)-6-(propylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-hydroxy-2-phenylethyl)-6-propylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-hydroxy-2-phenyl-ethyl)-6-(propylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C2=CNN(C2=N1)CC(C3=CC=CC=C3)O

Isomeric SMILES

CCCSC1=NC(=O)C2=CNN(C2=N1)CC(C3=CC=CC=C3)O

InChI

InChI=1S/C16H18N4O2S/c1-2-8-23-16-18-14-12(15(22)19-16)9-17-20(14)10-13(21)11-6-4-3-5-7-11/h3-7,9,13,17,21H,2,8,10H2,1H3