[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H22ClN3O3S MolecularWeight: 371.88218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C16H22ClN3O3S/c1-10(14(21)18-8-11-6-4-3-5-7-11)23-15(22)13-12(17)9-19-16(20-13)24-2/h9-11H,3-8H2,1-2H3,(H,18,21)