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

Systemtic Name: 2-methylpropyl 2-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl 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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-4-5-11-16(21(26)27-13-14(2)3)18-19(24)22-17(23-20(18)25)12-15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3,(H2,22,23,24,25)