2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-9-(4-oxidanylbutyl)purin-6-yl]sulfanylethanamide

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-9-(4-oxidanylbutyl)purin-6-yl]sulfanylethanamide Openeye Name: 2-[2-(2-amino-2-oxo-ethyl)sulfanyl-9-(4-hydroxybutyl)purin-6-yl]sulfanylacetamide CAS Name: 2-[[2-[(2-amino-2-oxoethyl)thio]-9-(4-hydroxybutyl)-6-purinyl]thio]acetamide IUPAC Name: 2-[2-(2-amino-2-oxoethyl)sulfanyl-9-(4-hydroxybutyl)purin-6-yl]sulfanylacetamide Traditional Name: 2-[[2-[(2-amino-2-keto-ethyl)thio]-9-(4-hydroxybutyl)purin-6-yl]thio]acetamide Formula: C13H18N6O3S2 MolecularWeight: 370.45042

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCO)N=C(N=C2SCC(=O)N)SCC(=O)N

Isomeric SMILES

C1=NC2=C(N1CCCCO)N=C(N=C2SCC(=O)N)SCC(=O)N

InChI

InChI=1S/C13H18N6O3S2/c14-8(21)5-23-12-10-11(17-13(18-12)24-6-9(15)22)19(7-16-10)3-1-2-4-20/h7,20H,1-6H2,(H2,14,21)(H2,15,22)