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

Systemtic Name: hexyl 3-[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate Openeye Name: hexyl 3-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid hexyl ester IUPAC Name: hexyl 3-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(2-benzyl-4-keto-6-methyl-1H-pyrimidin-5-yl)propionic acid hexyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCC1=C(NC(=NC1=O)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCOC(=O)CCC1=C(NC(=NC1=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C21H28N2O3/c1-3-4-5-9-14-26-20(24)13-12-18-16(2)22-19(23-21(18)25)15-17-10-7-6-8-11-17/h6-8,10-11H,3-5,9,12-15H2,1-2H3,(H,22,23,25)