6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2,5-dimethylphenyl)methylthio]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2,5-dimethylbenzyl)thio]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C3=CNN(C3=N2)CCO

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C3=CNN(C3=N2)CCO

InChI

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