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

Systemtic Name: 3-methylbutyl 3-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]-2-methyl-propanoate Openeye Name: isopentyl 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]-2-methyl-propanoate CAS Name: 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]-2-methylpropanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]-2-methylpropanoate Traditional Name: 3-(4-keto-2-methylol-6-phenyl-1H-pyrimidin-5-yl)-2-methyl-propionic acid isoamyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(C)CC1=C(NC(=NC1=O)CO)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC(=O)C(C)CC1=C(NC(=NC1=O)CO)C2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4/c1-13(2)9-10-26-20(25)14(3)11-16-18(15-7-5-4-6-8-15)21-17(12-23)22-19(16)24/h4-8,13-14,23H,9-12H2,1-3H3,(H,21,22,24)