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

Systemtic Name: 1-(2-hydroxyethyl)-6-(2-morpholin-4-ium-4-ylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-hydroxyethyl)-6-(2-morpholin-4-ium-4-ylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxyethyl)-6-[2-(4-morpholin-4-iumyl)ethylthio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-hydroxyethyl)-6-(2-morpholin-4-ium-4-ylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-hydroxyethyl)-6-(2-morpholin-4-ium-4-ylethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H20N5O3S+ MolecularWeight: 326.3946

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NC(=O)C3=CNN(C3=N2)CCO

Isomeric SMILES

C1COCC[NH+]1CCSC2=NC(=O)C3=CNN(C3=N2)CCO

InChI

InChI=1S/C13H19N5O3S/c19-5-1-18-11-10(9-14-18)12(20)16-13(15-11)22-8-4-17-2-6-21-7-3-17/h9,14,19H,1-8H2/p+1