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

Systemtic Name: 3-methylbutyl 3-[2-(hydroxymethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: isopentyl 3-[2-(hydroxymethyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-(hydroxymethyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-[2-(hydroxymethyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-(4-keto-6-methyl-2-methylol-1H-pyrimidin-5-yl)propionic acid isoamyl ester Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CO)CCC(=O)OCCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CO)CCC(=O)OCCC(C)C

InChI

InChI=1S/C14H22N2O4/c1-9(2)6-7-20-13(18)5-4-11-10(3)15-12(8-17)16-14(11)19/h9,17H,4-8H2,1-3H3,(H,15,16,19)