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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(dimethylamino)-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-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-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-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-13-16(14(2)22-20(21-13)27-5)11-12-17(24)26-18(19(25)23(3)4)15-9-7-6-8-10-15/h6-10,18H,11-12H2,1-5H3