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

Systemtic Name: 3-methylbutyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoate Openeye Name: isopentyl 2-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)hexanoate CAS Name: 2-[6-methyl-4-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)hexanoate Traditional Name: 2-(2-benzyl-4-keto-6-methyl-1H-pyrimidin-5-yl)hexanoic acid isoamyl ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(NC(=NC1=O)CC2=CC=CC=C2)C)C(=O)OCCC(C)C

Isomeric SMILES

CCCCC(C1=C(NC(=NC1=O)CC2=CC=CC=C2)C)C(=O)OCCC(C)C

InChI

InChI=1S/C23H32N2O3/c1-5-6-12-19(23(27)28-14-13-16(2)3)21-17(4)24-20(25-22(21)26)15-18-10-8-7-9-11-18/h7-11,16,19H,5-6,12-15H2,1-4H3,(H,24,25,26)