5-[1,3-dibutyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]pentanoic acid

Systemtic Name: 5-[1,3-dibutyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]pentanoic acid Openeye Name: 5-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid CAS Name: 5-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid IUPAC Name: 5-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid Traditional Name: 5-(1,3-dibutyl-2,6-diketo-7H-purin-8-yl)valeric acid Formula: C18H28N4O4 MolecularWeight: 364.43932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)CCCCC(=O)O

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)CCCCC(=O)O

InChI

InChI=1S/C18H28N4O4/c1-3-5-11-21-16-15(17(25)22(18(21)26)12-6-4-2)19-13(20-16)9-7-8-10-14(23)24/h3-12H2,1-2H3,(H,19,20)(H,23,24)