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

Systemtic Name: butyl 2-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]hexanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(NC(=NC1=O)CO)C2=CC=CC=C2)C(=O)OCCCC

Isomeric SMILES

CCCCC(C1=C(NC(=NC1=O)CO)C2=CC=CC=C2)C(=O)OCCCC

InChI

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