5-chloranyl-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H19ClN4O5S2 MolecularWeight: 458.93956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H19ClN4O5S2/c1-26-13-4-3-11(9-14(13)29(24,25)22-5-7-27-8-6-22)20-16(23)15-12(18)10-19-17(21-15)28-2/h3-4,9-10H,5-8H2,1-2H3,(H,20,23)