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

Systemtic Name: 3-methylbutyl 2-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]hexanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-4-5-11-17(22(27)28-13-12-15(2)3)19-20(16-9-7-6-8-10-16)23-18(14-25)24-21(19)26/h6-10,15,17,25H,4-5,11-14H2,1-3H3,(H,23,24,26)