4-[6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yloxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yloxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentoxy]-4-oxo-butanoic acid CAS Name: 4-[6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yloxy]-4-oxobutanoic acid IUPAC Name: 4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid Traditional Name: 4-[5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentoxy]-4-keto-butyric acid Formula: C17H24N4O6 MolecularWeight: 380.39566

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)CCC(=O)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)CCC(=O)O

InChI

InChI=1S/C17H24N4O6/c1-11(27-13(24)8-7-12(22)23)6-4-5-9-21-16(25)14-15(18-10-19(14)2)20(3)17(21)26/h10-11H,4-9H2,1-3H3,(H,22,23)