5-chloranyl-2-ethylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C17H19ClN4O4S2/c1-2-27-17-19-11-14(18)15(21-17)16(23)20-12-3-5-13(6-4-12)28(24,25)22-7-9-26-10-8-22/h3-6,11H,2,7-10H2,1H3,(H,20,23)