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

Systemtic Name: 3-methylbutyl 2-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-4-5-11-17(22(27)28-13-12-15(2)3)19-20(25)23-18(24-21(19)26)14-16-9-7-6-8-10-16/h6-10,15,17H,4-5,11-14H2,1-3H3,(H2,23,24,25,26)