2-[1-(2-hydroxyethyloxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide

Systemtic Name: 2-[1-(2-hydroxyethyloxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide Openeye Name: 2-[1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide CAS Name: 2-[[1-(2-hydroxyethoxymethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]butanamide IUPAC Name: 2-[1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanamide Traditional Name: 2-[[1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]butyramide Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)SC1=NC=NC2=C1C=NN2COCCO

Isomeric SMILES

CCC(C(=O)N)SC1=NC=NC2=C1C=NN2COCCO

InChI

InChI=1S/C12H17N5O3S/c1-2-9(10(13)19)21-12-8-5-16-17(7-20-4-3-18)11(8)14-6-15-12/h5-6,9,18H,2-4,7H2,1H3,(H2,13,19)