4-(6-sulfanylidene-3H-purin-9-yl)butanoic acid

Systemtic Name: 4-(6-sulfanylidene-3H-purin-9-yl)butanoic acid Openeye Name: 4-(6-thioxo-3H-purin-9-yl)butanoic acid CAS Name: 4-(6-sulfanylidene-3H-purin-9-yl)butanoic acid IUPAC Name: 4-(6-sulfanylidene-3H-purin-9-yl)butanoic acid Traditional Name: 4-(6-thioxo-3H-purin-9-yl)butyric acid Formula: C9H10N4O2S MolecularWeight: 238.2663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O2S/c14-6(15)2-1-3-13-5-12-7-8(13)10-4-11-9(7)16/h4-5H,1-3H2,(H,14,15)(H,10,11,16)