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

Systemtic Name: hexyl 2-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoate Openeye Name: hexyl 2-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)hexanoate CAS Name: 2-[4-hydroxy-6-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoic acid hexyl ester IUPAC Name: hexyl 2-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)hexanoate Traditional Name: 2-(2-benzyl-4-hydroxy-6-keto-1H-pyrimidin-5-yl)hexanoic acid hexyl ester Formula: C23H32N2O4 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CCCC)C1=C(N=C(NC1=O)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCOC(=O)C(CCCC)C1=C(N=C(NC1=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C23H32N2O4/c1-3-5-7-11-15-29-23(28)18(14-6-4-2)20-21(26)24-19(25-22(20)27)16-17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3,(H2,24,25,26,27)