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

Systemtic Name: ethyl 3-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]-2-methyl-propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-3-23-17(22)11(2)9-13-15(12-7-5-4-6-8-12)18-14(10-20)19-16(13)21/h4-8,11,20H,3,9-10H2,1-2H3,(H,18,19,21)