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

Systemtic Name: pentyl 2-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]hexanoate Openeye Name: pentyl 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]hexanoate CAS Name: 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]hexanoic acid pentyl ester IUPAC Name: pentyl 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]hexanoate Traditional Name: 2-(4-keto-2-methylol-6-phenyl-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(NC(=NC1=O)CO)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)C(CCCC)C1=C(NC(=NC1=O)CO)C2=CC=CC=C2

InChI

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