2-[6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-(2-hydroxyethyloxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanamide

Systemtic Name: 2-[6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-(2-hydroxyethyloxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanamide Openeye Name: 2-[6-(2-amino-2-oxo-ethyl)sulfanyl-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide CAS Name: 2-[[6-[(2-amino-2-oxoethyl)thio]-1-(2-hydroxyethoxymethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-[6-(2-amino-2-oxoethyl)sulfanyl-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: 2-[[6-[(2-amino-2-keto-ethyl)thio]-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C12H16N6O4S2 MolecularWeight: 372.42324

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C2=C1C(=NC(=N2)SCC(=O)N)SCC(=O)N)COCCO

Isomeric SMILES

C1=NN(C2=C1C(=NC(=N2)SCC(=O)N)SCC(=O)N)COCCO

InChI

InChI=1S/C12H16N6O4S2/c13-8(20)4-23-11-7-3-15-18(6-22-2-1-19)10(7)16-12(17-11)24-5-9(14)21/h3,19H,1-2,4-6H2,(H2,13,20)(H2,14,21)