[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C16H22ClN3O3S MolecularWeight: 371.88218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C16H22ClN3O3S/c1-10-4-6-11(7-5-10)20(2)13(21)9-23-15(22)14-12(17)8-18-16(19-14)24-3/h8,10-11H,4-7,9H2,1-3H3