11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecanoic acid

Systemtic Name: 11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecanoic acid Openeye Name: 11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)undecanoic acid CAS Name: 11-(3,7-dimethyl-2,6-dioxo-1-purinyl)undecanoic acid IUPAC Name: 11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecanoic acid Traditional Name: 11-(2,6-diketo-3,7-dimethyl-purin-1-yl)undecanoic acid Formula: C18H28N4O4 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCC(=O)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C18H28N4O4/c1-20-13-19-16-15(20)17(25)22(18(26)21(16)2)12-10-8-6-4-3-5-7-9-11-14(23)24/h13H,3-12H2,1-2H3,(H,23,24)