6-(6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylhexyl 3-oxidanylidenebutanoate

Systemtic Name: 6-(6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylhexyl 3-oxidanylidenebutanoate Openeye Name: 6-(6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylhexyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 6-[(6-methyl-2-phenyl-4-pyrimidinyl)thio]hexyl ester IUPAC Name: 6-(6-methyl-2-phenylpyrimidin-4-yl)sulfanylhexyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 6-[(6-methyl-2-phenyl-pyrimidin-4-yl)thio]hexyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=CC=C2)SCCCCCCOC(=O)CC(=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=CC=C2)SCCCCCCOC(=O)CC(=O)C

InChI

InChI=1S/C21H26N2O3S/c1-16-14-19(23-21(22-16)18-10-6-5-7-11-18)27-13-9-4-3-8-12-26-20(25)15-17(2)24/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3