5-(6-sulfanylidene-3H-purin-9-yl)pentanoic acid

Systemtic Name: 5-(6-sulfanylidene-3H-purin-9-yl)pentanoic acid Openeye Name: 5-(6-thioxo-3H-purin-9-yl)pentanoic acid CAS Name: 5-(6-sulfanylidene-3H-purin-9-yl)pentanoic acid IUPAC Name: 5-(6-sulfanylidene-3H-purin-9-yl)pentanoic acid Traditional Name: 5-(6-thioxo-3H-purin-9-yl)valeric acid Formula: C10H12N4O2S MolecularWeight: 252.29288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)CCCCC(=O)O

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)CCCCC(=O)O

InChI

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