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

Systemtic Name: 2-[6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-(4-oxidanylbutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanamide Openeye Name: 2-[6-(2-amino-2-oxo-ethyl)sulfanyl-1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide CAS Name: 2-[[6-[(2-amino-2-oxoethyl)thio]-1-(4-hydroxybutyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-[6-(2-amino-2-oxoethyl)sulfanyl-1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: 2-[[6-[(2-amino-2-keto-ethyl)thio]-1-(4-hydroxybutyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C13H18N6O3S2 MolecularWeight: 370.45042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N6O3S2/c14-9(21)6-23-12-8-5-16-19(3-1-2-4-20)11(8)17-13(18-12)24-7-10(15)22/h5,20H,1-4,6-7H2,(H2,14,21)(H2,15,22)