[1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-1-methyl-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H24ClN3O3S MolecularWeight: 385.90876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)OC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)OC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C17H24ClN3O3S/c1-9-6-5-7-13(10(9)2)20-15(22)11(3)24-16(23)14-12(18)8-19-17(21-14)25-4/h8-11,13H,5-7H2,1-4H3,(H,20,22)