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

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-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-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-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-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C19H29N3O3S/c1-12-5-7-15(8-6-12)22-17(23)11-25-18(24)10-9-16-13(2)20-19(26-4)21-14(16)3/h12,15H,5-11H2,1-4H3,(H,22,23)