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

Systemtic Name: butyl 2-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(N=C(NC1=O)CC2=CC=CC=C2)O)C(=O)OCCCC

Isomeric SMILES

CCCCC(C1=C(N=C(NC1=O)CC2=CC=CC=C2)O)C(=O)OCCCC

InChI

InChI=1S/C21H28N2O4/c1-3-5-12-16(21(26)27-13-6-4-2)18-19(24)22-17(23-20(18)25)14-15-10-8-7-9-11-15/h7-11,16H,3-6,12-14H2,1-2H3,(H2,22,23,24,25)