sodium 5-(7H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: sodium 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: sodium 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: sodium 5-(7H-purin-6-ylthio)pentanoate IUPAC Name: sodium 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: sodium 5-(7H-purin-6-ylthio)valerate Formula: C10H11N4NaO2S MolecularWeight: 274.27471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C10H12N4O2S.Na/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);/q;+1/p-1