1-hexadecanoyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-2,6-dione

Systemtic Name: 1-hexadecanoyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-2,6-dione Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-hexadecanoyl-3H-purine-2,6-dione CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxohexadecyl)-3H-purine-2,6-dione IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-hexadecanoyl-3H-purine-2,6-dione Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1-hexadecanoyl-xanthine Formula: C26H42N4O7 MolecularWeight: 522.63428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1C(=O)C2=C(NC1=O)N(C=N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1C(=O)C2=C(NC1=O)N(C=N2)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C26H42N4O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(32)30-24(35)20-23(28-26(30)36)29(17-27-20)25-22(34)21(33)18(16-31)37-25/h17-18,21-22,25,31,33-34H,2-16H2,1H3,(H,28,36)