2-chloranyl-3-(6-oxidanylidene-3H-purin-9-yl)propanoic acid

Systemtic Name: 2-chloranyl-3-(6-oxidanylidene-3H-purin-9-yl)propanoic acid Openeye Name: 2-chloro-3-(6-oxo-3H-purin-9-yl)propanoic acid CAS Name: 2-chloro-3-(6-oxo-3H-purin-9-yl)propanoic acid IUPAC Name: 2-chloro-3-(6-oxo-3H-purin-9-yl)propanoic acid Traditional Name: 2-chloro-3-(6-keto-3H-purin-9-yl)propionic acid Formula: C8H7ClN4O3 MolecularWeight: 242.61918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)CC(C(=O)O)Cl

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)CC(C(=O)O)Cl

InChI

InChI=1S/C8H7ClN4O3/c9-4(8(15)16)1-13-3-12-5-6(13)10-2-11-7(5)14/h2-4H,1H2,(H,15,16)(H,10,11,14)