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

Systemtic Name: 1-(2-hydroxyethyl)-6-phenethylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-hydroxyethyl)-6-phenethylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxyethyl)-6-(phenethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-hydroxyethyl)-6-phenethylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-hydroxyethyl)-6-(phenethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=O)C3=CNN(C3=N2)CCO

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=O)C3=CNN(C3=N2)CCO

InChI

InChI=1S/C15H16N4O2S/c20-8-7-19-13-12(10-16-19)14(21)18-15(17-13)22-9-6-11-4-2-1-3-5-11/h1-5,10,16,20H,6-9H2