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

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexanoic acid Openeye Name: 6-(3,7-dimethyl-2,6-dioxo-purin-1-yl)hexanoic acid CAS Name: 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexanoic acid IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexanoic acid Traditional Name: 6-(2,6-diketo-3,7-dimethyl-purin-1-yl)hexanoic acid Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-15-8-14-11-10(15)12(20)17(13(21)16(11)2)7-5-3-4-6-9(18)19/h8H,3-7H2,1-2H3,(H,18,19)