N-[6-oxidanylidene-8-[3,4,5-tris(oxidanyl)oxan-2-yl]-3,7-dihydropurin-2-yl]hexadecanamide

Systemtic Name: N-[6-oxidanylidene-8-[3,4,5-tris(oxidanyl)oxan-2-yl]-3,7-dihydropurin-2-yl]hexadecanamide Openeye Name: N-[6-oxo-8-(3,4,5-trihydroxytetrahydropyran-2-yl)-3,7-dihydropurin-2-yl]hexadecanamide CAS Name: N-[6-oxo-8-(3,4,5-trihydroxy-2-oxanyl)-3,7-dihydropurin-2-yl]hexadecanamide IUPAC Name: N-[6-oxo-8-(3,4,5-trihydroxyoxan-2-yl)-3,7-dihydropurin-2-yl]hexadecanamide Traditional Name: N-[6-keto-8-(3,4,5-trihydroxytetrahydropyran-2-yl)-3,7-dihydropurin-2-yl]palmitamide Formula: C26H43N5O6 MolecularWeight: 521.64952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)C2=C(N1)N=C(N2)C3C(C(C(CO3)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)C2=C(N1)N=C(N2)C3C(C(C(CO3)O)O)O

InChI

InChI=1S/C26H43N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(33)27-26-30-23-19(25(36)31-26)28-24(29-23)22-21(35)20(34)17(32)16-37-22/h17,20-22,32,34-35H,2-16H2,1H3,(H3,27,28,29,30,31,33,36)