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

Systemtic Name: 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoic acid Openeye Name: 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetic acid CAS Name: 2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]acetic acid IUPAC Name: 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetic acid Traditional Name: 2-[5-(7H-purin-6-ylthio)pentanoylamino]acetic acid Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O3S/c18-8(13-5-9(19)20)3-1-2-4-21-12-10-11(15-6-14-10)16-7-17-12/h6-7H,1-5H2,(H,13,18)(H,19,20)(H,14,15,16,17)