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

Systemtic Name: 6-methylsulfanyl-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-benzyl-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(methylthio)-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-benzyl-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-benzyl-6-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=CNN(C2=N1)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=O)C2=CNN(C2=N1)CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4OS/c1-19-13-15-11-10(12(18)16-13)7-14-17(11)8-9-5-3-2-4-6-9/h2-7,14H,8H2,1H3