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

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]propanoic acid Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)propanoic acid CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)propanoic acid IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)propanoic acid Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)propionic acid Formula: C16H24N4O4 MolecularWeight: 336.38616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)O

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)O

InChI

InChI=1S/C16H24N4O4/c1-3-5-9-19-11(7-8-12(21)22)17-14-13(19)15(23)18-16(24)20(14)10-6-4-2/h3-10H2,1-2H3,(H,21,22)(H,18,23,24)