2-[1-(4-oxidanylbutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide

Systemtic Name: 2-[1-(4-oxidanylbutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide Openeye Name: 2-[1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide CAS Name: 2-[[1-(4-hydroxybutyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]propanamide IUPAC Name: 2-[1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide Traditional Name: 2-[[1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]propionamide Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC=NC2=C1C=NN2CCCCO

Isomeric SMILES

CC(C(=O)N)SC1=NC=NC2=C1C=NN2CCCCO

InChI

InChI=1S/C12H17N5O2S/c1-8(10(13)19)20-12-9-6-16-17(4-2-3-5-18)11(9)14-7-15-12/h6-8,18H,2-5H2,1H3,(H2,13,19)