methyl 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]cyclohexanecarboxylate CAS Name: 1-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2(CCCCC2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2(CCCCC2)C(=O)OC

InChI

InChI=1S/C18H27N3O3S/c1-12-14(13(2)20-17(19-12)25-4)8-9-15(22)21-18(16(23)24-3)10-6-5-7-11-18/h5-11H2,1-4H3,(H,21,22)