5-bromanyl-N-(4-methylphenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(4-methylphenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-2-methylsulfonyl-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(4-methylphenyl)-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(4-methylphenyl)-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-bromo-2-mesyl-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C13H12BrN3O3S MolecularWeight: 370.22168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Br)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Br)S(=O)(=O)C

InChI

InChI=1S/C13H12BrN3O3S/c1-8-3-5-9(6-4-8)16-12(18)11-10(14)7-15-13(17-11)21(2,19)20/h3-7H,1-2H3,(H,16,18)