ethyl 2-[5-[7-(2-acetyloxyethoxymethyl)purin-6-yl]sulfanylpentanoylamino]ethanoate

Systemtic Name: ethyl 2-[5-[7-(2-acetyloxyethoxymethyl)purin-6-yl]sulfanylpentanoylamino]ethanoate Openeye Name: ethyl 2-[5-[7-(2-acetoxyethoxymethyl)purin-6-yl]sulfanylpentanoylamino]acetate CAS Name: 2-[[5-[[7-(2-acetyloxyethoxymethyl)-6-purinyl]thio]-1-oxopentyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[7-(2-acetyloxyethoxymethyl)purin-6-yl]sulfanylpentanoylamino]acetate Traditional Name: 2-[5-[[7-(2-acetoxyethoxymethyl)purin-6-yl]thio]pentanoylamino]acetic acid ethyl ester Formula: C19H27N5O6S MolecularWeight: 453.51258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CCCCSC1=NC=NC2=C1N(C=N2)COCCOC(=O)C

Isomeric SMILES

CCOC(=O)CNC(=O)CCCCSC1=NC=NC2=C1N(C=N2)COCCOC(=O)C

InChI

InChI=1S/C19H27N5O6S/c1-3-29-16(27)10-20-15(26)6-4-5-9-31-19-17-18(21-11-22-19)23-12-24(17)13-28-7-8-30-14(2)25/h11-12H,3-10,13H2,1-2H3,(H,20,26)