ethyl 2-[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]ethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[5-(7H-purin-6-ylthio)pentanoylamino]acetyl]amino]acetic acid ethyl ester Formula: C16H22N6O4S MolecularWeight: 394.44868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCOC(=O)CNC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C16H22N6O4S/c1-2-26-13(25)8-18-12(24)7-17-11(23)5-3-4-6-27-16-14-15(20-9-19-14)21-10-22-16/h9-10H,2-8H2,1H3,(H,17,23)(H,18,24)(H,19,20,21,22)