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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[(4-morpholinosulfonylphenyl)methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(4-morpholinosulfonylbenzyl)pyrimidine-4-carboxamide Formula: C17H19ClN4O4S2 MolecularWeight: 442.94016

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C17H19ClN4O4S2/c1-27-17-20-11-14(18)15(21-17)16(23)19-10-12-2-4-13(5-3-12)28(24,25)22-6-8-26-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23)