[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-(benzylamino)-2-keto-1-methyl-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(C)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O3S/c1-13-17(14(2)23-20(22-13)27-4)10-11-18(24)26-15(3)19(25)21-12-16-8-6-5-7-9-16/h5-9,15H,10-12H2,1-4H3,(H,21,25)