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

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(isobutylamino)-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-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-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-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H27N3O3S MolecularWeight: 353.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C(=O)NCC(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C(=O)NCC(C)C

InChI

InChI=1S/C17H27N3O3S/c1-10(2)9-18-16(22)13(5)23-15(21)8-7-14-11(3)19-17(24-6)20-12(14)4/h10,13H,7-9H2,1-6H3,(H,18,22)