pentyl 2-[2-(hydroxymethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]hexanoate

Systemtic Name: pentyl 2-[2-(hydroxymethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]hexanoate Openeye Name: pentyl 2-[2-(hydroxymethyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]hexanoate CAS Name: 2-[2-(hydroxymethyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]hexanoic acid pentyl ester IUPAC Name: pentyl 2-[2-(hydroxymethyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]hexanoate Traditional Name: 2-(4-keto-6-methyl-2-methylol-1H-pyrimidin-5-yl)hexanoic acid amyl ester Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CCCC)C1=C(NC(=NC1=O)CO)C

Isomeric SMILES

CCCCCOC(=O)C(CCCC)C1=C(NC(=NC1=O)CO)C

InChI

InChI=1S/C17H28N2O4/c1-4-6-8-10-23-17(22)13(9-7-5-2)15-12(3)18-14(11-20)19-16(15)21/h13,20H,4-11H2,1-3H3,(H,18,19,21)