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

Systemtic Name: 3-[2,6-bis(oxidanylidene)-3-propyl-7H-purin-1-yl]propanoic acid Openeye Name: 3-(2,6-dioxo-3-propyl-7H-purin-1-yl)propanoic acid CAS Name: 3-(2,6-dioxo-3-propyl-7H-purin-1-yl)propanoic acid IUPAC Name: 3-(2,6-dioxo-3-propyl-7H-purin-1-yl)propanoic acid Traditional Name: 3-(2,6-diketo-3-propyl-7H-purin-1-yl)propionic acid Formula: C11H14N4O4 MolecularWeight: 266.25326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC(=O)O)NC=N2

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC(=O)O)NC=N2

InChI

InChI=1S/C11H14N4O4/c1-2-4-14-9-8(12-6-13-9)10(18)15(11(14)19)5-3-7(16)17/h6H,2-5H2,1H3,(H,12,13)(H,16,17)