[5-(hydroxymethyl)-2-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-3-yl] hexadecanoate

Systemtic Name: [5-(hydroxymethyl)-2-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-3-yl] hexadecanoate Openeye Name: [5-(hydroxymethyl)-2-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-3-yl] hexadecanoate CAS Name: hexadecanoic acid [5-(hydroxymethyl)-2-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-3-oxolanyl] ester IUPAC Name: [5-(hydroxymethyl)-2-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-3-yl] hexadecanoate Traditional Name: palmitic acid [2-(4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-5-methylol-tetrahydrofuran-3-yl] ester Formula: C26H42N4O5 MolecularWeight: 490.63548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1CC(OC1N2C3=NC=NC(=O)C3=CN2)CO

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1CC(OC1N2C3=NC=NC(=O)C3=CN2)CO

InChI

InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)35-22-16-20(18-31)34-26(22)30-24-21(17-29-30)25(33)28-19-27-24/h17,19-20,22,26,29,31H,2-16,18H2,1H3