(2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (2-morpholino-2-oxo-1-phenyl-ethyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (2-keto-2-morpholino-1-phenyl-ethyl) ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C22H27N3O4S/c1-15-18(16(2)24-22(23-15)30-3)9-10-19(26)29-20(17-7-5-4-6-8-17)21(27)25-11-13-28-14-12-25/h4-8,20H,9-14H2,1-3H3