2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoic acid CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoic acid Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid Formula: C10H12N4O4 MolecularWeight: 252.22668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C(=O)O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C10H12N4O4/c1-5(9(16)17)14-4-11-7-6(14)8(15)13(3)10(18)12(7)2/h4-5H,1-3H3,(H,16,17)