5-(7H-purin-6-ylsulfanyl)pentanoic acid

Systemtic Name: 5-(7H-purin-6-ylsulfanyl)pentanoic acid Openeye Name: 5-(7H-purin-6-ylsulfanyl)pentanoic acid CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid IUPAC Name: 5-(7H-purin-6-ylsulfanyl)pentanoic acid Traditional Name: 5-(7H-purin-6-ylthio)valeric acid Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O2S/c15-7(16)3-1-2-4-17-10-8-9(12-5-11-8)13-6-14-10/h5-6H,1-4H2,(H,15,16)(H,11,12,13,14)