ethyl 2-[2-acetamido-9-(2-acetyloxyethoxymethyl)-8-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-purin-6-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-acetamido-9-(2-acetyloxyethoxymethyl)-8-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-purin-6-yl]sulfanylethanoate Openeye Name: ethyl 2-[2-acetamido-9-(2-acetoxyethoxymethyl)-8-(2-ethoxy-2-oxo-ethyl)sulfanyl-purin-6-yl]sulfanylacetate CAS Name: 2-[[2-acetamido-9-(2-acetyloxyethoxymethyl)-8-[(2-ethoxy-2-oxoethyl)thio]-6-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-acetamido-9-(2-acetyloxyethoxymethyl)-8-(2-ethoxy-2-oxoethyl)sulfanylpurin-6-yl]sulfanylacetate Traditional Name: 2-[[2-acetamido-9-(2-acetoxyethoxymethyl)-8-[(2-ethoxy-2-keto-ethyl)thio]purin-6-yl]thio]acetic acid ethyl ester Formula: C20H27N5O8S2 MolecularWeight: 529.58708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC2=C1N=C(N2COCCOC(=O)C)SCC(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC2=C1N=C(N2COCCOC(=O)C)SCC(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H27N5O8S2/c1-5-31-14(28)9-34-18-16-17(23-19(24-18)21-12(3)26)25(11-30-7-8-33-13(4)27)20(22-16)35-10-15(29)32-6-2/h5-11H2,1-4H3,(H,21,23,24,26)