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

Systemtic Name: ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoate Openeye Name: ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate CAS Name: 2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate Traditional Name: 2-[5-(7H-purin-6-ylthio)pentanoylamino]acetic acid ethyl ester Formula: C14H19N5O3S MolecularWeight: 337.39736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O3S/c1-2-22-11(21)7-15-10(20)5-3-4-6-23-14-12-13(17-8-16-12)18-9-19-14/h8-9H,2-7H2,1H3,(H,15,20)(H,16,17,18,19)