2-azanyl-1-hexadecanoyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one

Systemtic Name: 2-azanyl-1-hexadecanoyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-hexadecanoyl-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxohexadecyl)-6-purinone IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-hexadecanoylpurin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1-hexadecanoyl-purin-6-one Formula: C26H43N5O6 MolecularWeight: 521.64952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1C(=O)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1C(=O)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)O)O

InChI

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