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

Systemtic Name: ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoate Openeye Name: ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoate CAS Name: 2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoate Traditional Name: 2-[5-(7H-purin-6-ylthio)pentanoylamino]propionic acid ethyl ester Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O3S/c1-3-23-15(22)10(2)20-11(21)6-4-5-7-24-14-12-13(17-8-16-12)18-9-19-14/h8-10H,3-7H2,1-2H3,(H,20,21)(H,16,17,18,19)