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

Systemtic Name: 6-(phenacylsulfanylmethyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(phenacylsulfanylmethyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(phenacylthio)methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(phenacylsulfanylmethyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(phenacylthio)methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H16N4O2S MolecularWeight: 376.43164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O2S/c25-17(14-7-3-1-4-8-14)12-27-13-18-22-19-16(20(26)23-18)11-21-24(19)15-9-5-2-6-10-15/h1-11,21H,12-13H2