2-[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[5-(7H-purin-6-ylthio)pentanoylamino]acetyl]amino]acetic acid Formula: C14H18N6O4S MolecularWeight: 366.39552

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCCCCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCCCCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C14H18N6O4S/c21-9(15-5-10(22)16-6-11(23)24)3-1-2-4-25-14-12-13(18-7-17-12)19-8-20-14/h7-8H,1-6H2,(H,15,21)(H,16,22)(H,23,24)(H,17,18,19,20)