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

Systemtic Name: 3-methylbutyl 2-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]ethanoate Openeye Name: isopentyl 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]acetate CAS Name: 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]acetate Traditional Name: 2-(4-keto-2-methylol-6-phenyl-1H-pyrimidin-5-yl)acetic acid isoamyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-12(2)8-9-24-16(22)10-14-17(13-6-4-3-5-7-13)19-15(11-21)20-18(14)23/h3-7,12,21H,8-11H2,1-2H3,(H,19,20,23)