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

Systemtic Name: 3-methylbutyl 2-[2-(hydroxymethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]hexanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(NC(=NC1=O)CO)C)C(=O)OCCC(C)C

Isomeric SMILES

CCCCC(C1=C(NC(=NC1=O)CO)C)C(=O)OCCC(C)C

InChI

InChI=1S/C17H28N2O4/c1-5-6-7-13(17(22)23-9-8-11(2)3)15-12(4)18-14(10-20)19-16(15)21/h11,13,20H,5-10H2,1-4H3,(H,18,19,21)