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

Systemtic Name: hexyl 3-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c1-2-3-4-8-13-26-18(23)12-11-16-19(24)21-17(22-20(16)25)14-15-9-6-5-7-10-15/h5-7,9-10H,2-4,8,11-14H2,1H3,(H2,21,22,24,25)