[5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hexadecanoate

Systemtic Name: [5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hexadecanoate Openeye Name: [5-(4-benzamido-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hexadecanoate CAS Name: hexadecanoic acid [5-(4-benzamido-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hexadecanoate Traditional Name: palmitic acid [5-(4-benzamido-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C32H47N3O6 MolecularWeight: 569.73208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1CC(OC1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1CC(OC1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C32H47N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-30(37)41-26-23-29(40-27(26)24-36)35-22-21-28(34-32(35)39)33-31(38)25-18-15-14-16-19-25/h14-16,18-19,21-22,26-27,29,36H,2-13,17,20,23-24H2,1H3,(H,33,34,38,39)