[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 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-(sec-butylamino)ethyl] ester Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CCC1=C(N=C(N=C1C)SC)C

Isomeric SMILES

CCC(C)NC(=O)COC(=O)CCC1=C(N=C(N=C1C)SC)C

InChI

InChI=1S/C16H25N3O3S/c1-6-10(2)17-14(20)9-22-15(21)8-7-13-11(3)18-16(23-5)19-12(13)4/h10H,6-9H2,1-5H3,(H,17,20)