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

Systemtic Name: propyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoate Openeye Name: propyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate CAS Name: 2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]acetic acid propyl ester IUPAC Name: propyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate Traditional Name: 2-[5-(7H-purin-6-ylthio)pentanoylamino]acetic acid propyl ester Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O3S/c1-2-6-23-12(22)8-16-11(21)5-3-4-7-24-15-13-14(18-9-17-13)19-10-20-15/h9-10H,2-8H2,1H3,(H,16,21)(H,17,18,19,20)