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

Systemtic Name: ethyl 3-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]propanoate Openeye Name: ethyl 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-(4-keto-2-methylol-6-phenyl-1H-pyrimidin-5-yl)propionic acid ethyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC(=NC1=O)CO)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC1=C(NC(=NC1=O)CO)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4/c1-2-22-14(20)9-8-12-15(11-6-4-3-5-7-11)17-13(10-19)18-16(12)21/h3-7,19H,2,8-10H2,1H3,(H,17,18,21)