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

Systemtic Name: ethyl 3-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate Openeye Name: ethyl 3-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-[4-hydroxy-6-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(2-benzyl-4-hydroxy-6-keto-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(N=C(NC1=O)CC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)CCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

InChI

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