3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]propanoic acid

Systemtic Name: 3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]propanoic acid Openeye Name: 3-(7-butyl-2,6-dioxo-3-propyl-purin-8-yl)propanoic acid CAS Name: 3-(7-butyl-2,6-dioxo-3-propyl-8-purinyl)propanoic acid IUPAC Name: 3-(7-butyl-2,6-dioxo-3-propylpurin-8-yl)propanoic acid Traditional Name: 3-(7-butyl-2,6-diketo-3-propyl-purin-8-yl)propionic acid Formula: C15H22N4O4 MolecularWeight: 322.35958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)O

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)O

InChI

InChI=1S/C15H22N4O4/c1-3-5-9-18-10(6-7-11(20)21)16-13-12(18)14(22)17-15(23)19(13)8-4-2/h3-9H2,1-2H3,(H,20,21)(H,17,22,23)