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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=O)NN(C2=N1)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C2C(=O)NN(C2=N1)CC3=CC=CC=C3

InChI

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