5-bromanyl-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-5-benzimidazolyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-ethyl-benzimidazol-5-yl]nicotinamide Formula: C22H21BrN6OS MolecularWeight: 497.41074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CN=C3)Br)N=C1CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CN=C3)Br)N=C1CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C22H21BrN6OS/c1-4-29-19-6-5-17(27-21(30)15-8-16(23)11-24-10-15)9-18(19)28-20(29)12-31-22-25-13(2)7-14(3)26-22/h5-11H,4,12H2,1-3H3,(H,27,30)