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

Systemtic Name: 5-bromanyl-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]nicotinamide Formula: C21H19BrN6OS MolecularWeight: 483.38416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CN=C4)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CN=C4)Br)C

InChI

InChI=1S/C21H19BrN6OS/c1-12-6-13(2)25-21(24-12)30-11-19-27-17-8-16(4-5-18(17)28(19)3)26-20(29)14-7-15(22)10-23-9-14/h4-10H,11H2,1-3H3,(H,26,29)