5-bromanyl-N-(3-chloranyl-4-methoxy-phenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(3-chloranyl-4-methoxy-phenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(3-chloro-4-methoxy-phenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(3-chloro-4-methoxy-phenyl)-2-mesyl-pyrimidine-4-carboxamide Formula: C13H11BrClN3O4S MolecularWeight: 420.66614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Br)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Br)S(=O)(=O)C)Cl

InChI

InChI=1S/C13H11BrClN3O4S/c1-22-10-4-3-7(5-9(10)15)17-12(19)11-8(14)6-16-13(18-11)23(2,20)21/h3-6H,1-2H3,(H,17,19)