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

Systemtic Name: 1-(2-hydroxyethyl)-6-[(3-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-hydroxyethyl)-6-(m-tolylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxyethyl)-6-[(3-methylphenyl)methylthio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-hydroxyethyl)-6-[(3-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-hydroxyethyl)-6-[(3-methylbenzyl)thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S/c1-10-3-2-4-11(7-10)9-22-15-17-13-12(14(21)18-15)8-16-19(13)5-6-20/h2-4,7-8,16,20H,5-6,9H2,1H3