[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C19H27ClN4O4S MolecularWeight: 442.96008

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3)Cl

InChI

InChI=1S/C19H27ClN4O4S/c1-29-18-21-11-14(20)16(23-18)17(26)28-12-15(25)22-13-19(5-3-2-4-6-19)24-7-9-27-10-8-24/h11H,2-10,12-13H2,1H3,(H,22,25)