4-[1,3-dibutyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]butanoic acid

Systemtic Name: 4-[1,3-dibutyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]butanoic acid Openeye Name: 4-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)butanoic acid CAS Name: 4-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)butanoic acid IUPAC Name: 4-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)butanoic acid Traditional Name: 4-(1,3-dibutyl-2,6-diketo-7H-purin-8-yl)butyric acid Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4/c1-3-5-10-20-15-14(16(24)21(17(20)25)11-6-4-2)18-12(19-15)8-7-9-13(22)23/h3-11H2,1-2H3,(H,18,19)(H,22,23)