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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(butylamino)-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 [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-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-(butylamino)-2-keto-ethyl] ester Formula: C16H25N3O3S MolecularWeight: 339.453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CCC1=C(N=C(N=C1C)SC)C

Isomeric SMILES

CCCCNC(=O)COC(=O)CCC1=C(N=C(N=C1C)SC)C

InChI

InChI=1S/C16H25N3O3S/c1-5-6-9-17-14(20)10-22-15(21)8-7-13-11(2)18-16(23-4)19-12(13)3/h5-10H2,1-4H3,(H,17,20)