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

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-9-(2-hydroxyethyloxymethyl)purin-6-yl]sulfanylethanamide Openeye Name: 2-[2-(2-amino-2-oxo-ethyl)sulfanyl-9-(2-hydroxyethoxymethyl)purin-6-yl]sulfanylacetamide CAS Name: 2-[[2-[(2-amino-2-oxoethyl)thio]-9-(2-hydroxyethoxymethyl)-6-purinyl]thio]acetamide IUPAC Name: 2-[2-(2-amino-2-oxoethyl)sulfanyl-9-(2-hydroxyethoxymethyl)purin-6-yl]sulfanylacetamide Traditional Name: 2-[[2-[(2-amino-2-keto-ethyl)thio]-9-(2-hydroxyethoxymethyl)purin-6-yl]thio]acetamide Formula: C12H16N6O4S2 MolecularWeight: 372.42324

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCO)N=C(N=C2SCC(=O)N)SCC(=O)N

Isomeric SMILES

C1=NC2=C(N1COCCO)N=C(N=C2SCC(=O)N)SCC(=O)N

InChI

InChI=1S/C12H16N6O4S2/c13-7(20)3-23-11-9-10(16-12(17-11)24-4-8(14)21)18(5-15-9)6-22-2-1-19/h5,19H,1-4,6H2,(H2,13,20)(H2,14,21)