6-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]butanoylamino]hexanoic acid

Systemtic Name: 6-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]butanoylamino]hexanoic acid Openeye Name: 6-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)butanoylamino]hexanoic acid CAS Name: 6-[[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-oxobutyl]amino]hexanoic acid IUPAC Name: 6-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)butanoylamino]hexanoic acid Traditional Name: 6-[4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)butanoylamino]hexanoic acid Formula: C17H25N5O5 MolecularWeight: 379.4109

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C17H25N5O5/c1-21-15-14(16(26)22(2)17(21)27)19-11(20-15)7-6-8-12(23)18-10-5-3-4-9-13(24)25/h3-10H2,1-2H3,(H,18,23)(H,19,20)(H,24,25)