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

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-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-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C(=O)NC2CC2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C(=O)NC2CC2

InChI

InChI=1S/C16H23N3O3S/c1-9-13(10(2)18-16(17-9)23-4)7-8-14(20)22-11(3)15(21)19-12-5-6-12/h11-12H,5-8H2,1-4H3,(H,19,21)