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

Systemtic Name: 1-(2-hydroxyethyl)-6-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-benzylsulfanyl-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxyethyl)-6-(phenylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzylsulfanyl-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(benzylthio)-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C3=CNN(C3=N2)CCO

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C3=CNN(C3=N2)CCO

InChI

InChI=1S/C14H14N4O2S/c19-7-6-18-12-11(8-15-18)13(20)17-14(16-12)21-9-10-4-2-1-3-5-10/h1-5,8,15,19H,6-7,9H2