pentyl 2-(4-oxidanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)hexanoate

Systemtic Name: pentyl 2-(4-oxidanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)hexanoate Openeye Name: pentyl 2-(4-hydroxy-6-oxo-2-phenyl-1H-pyrimidin-5-yl)hexanoate CAS Name: 2-(4-hydroxy-6-oxo-2-phenyl-1H-pyrimidin-5-yl)hexanoic acid pentyl ester IUPAC Name: pentyl 2-(4-hydroxy-6-oxo-2-phenyl-1H-pyrimidin-5-yl)hexanoate Traditional Name: 2-(4-hydroxy-6-keto-2-phenyl-1H-pyrimidin-5-yl)hexanoic acid amyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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