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

Systemtic Name: 1-(2-hydroxyethyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-hydroxyethyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxyethyl)-6-[2-(1-piperidin-1-iumyl)ethylthio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-hydroxyethyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-hydroxyethyl)-6-(2-piperidin-1-ium-1-ylethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H22N5O2S+ MolecularWeight: 324.42178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC(=O)C3=CNN(C3=N2)CCO

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC(=O)C3=CNN(C3=N2)CCO

InChI

InChI=1S/C14H21N5O2S/c20-8-6-19-12-11(10-15-19)13(21)17-14(16-12)22-9-7-18-4-2-1-3-5-18/h10,15,20H,1-9H2/p+1