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

Systemtic Name: butyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoate Openeye Name: butyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate CAS Name: 2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]acetic acid butyl ester IUPAC Name: butyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate Traditional Name: 2-[5-(7H-purin-6-ylthio)pentanoylamino]acetic acid butyl ester Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O3S/c1-2-3-7-24-13(23)9-17-12(22)6-4-5-8-25-16-14-15(19-10-18-14)20-11-21-16/h10-11H,2-9H2,1H3,(H,17,22)(H,18,19,20,21)