5-chloranyl-2-methylsulfanyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[[2-(morpholinosulfonylmethyl)phenyl]methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[2-(4-morpholinylsulfonylmethyl)phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[2-(morpholinosulfonylmethyl)benzyl]pyrimidine-4-carboxamide Formula: C18H21ClN4O4S2 MolecularWeight: 456.96674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=CC=C2CS(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=CC=C2CS(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H21ClN4O4S2/c1-28-18-21-11-15(19)16(22-18)17(24)20-10-13-4-2-3-5-14(13)12-29(25,26)23-6-8-27-9-7-23/h2-5,11H,6-10,12H2,1H3,(H,20,24)