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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-3-5-10-14-28-22(27)17(13-6-4-2)19-20(25)23-18(24-21(19)26)15-16-11-8-7-9-12-16/h7-9,11-12,17H,3-6,10,13-15H2,1-2H3,(H2,23,24,25,26)