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

Systemtic Name: hexyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate Openeye Name: hexyl 2-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 2-[6-methyl-4-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid hexyl ester IUPAC Name: hexyl 2-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 2-(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)C(C)C1=C(NC(=NC1=O)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCOC(=O)C(C)C1=C(NC(=NC1=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C21H28N2O3/c1-4-5-6-10-13-26-21(25)15(2)19-16(3)22-18(23-20(19)24)14-17-11-8-7-9-12-17/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H,22,23,24)