5-chloranyl-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholino]sulfonylphenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H21ClN4O4S2 MolecularWeight: 456.96674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C18H21ClN4O4S2/c1-11-9-23(10-12(2)27-11)29(25,26)14-6-4-13(5-7-14)21-17(24)16-15(19)8-20-18(22-16)28-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)/t11-,12-/m1/s1