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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-4-5-11-16(21(26)27-13-14(2)3)18-19(15-9-7-6-8-10-15)22-17(12-24)23-20(18)25/h6-10,14,16,24H,4-5,11-13H2,1-3H3,(H,22,23,25)