N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide

Systemtic Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide Openeye Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide CAS Name: N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]cyclohexanecarboxamide IUPAC Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]cyclohexanecarboxamide Traditional Name: N-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4CCCCC4)C

InChI

InChI=1S/C22H27N5OS/c1-14-11-15(2)24-22(23-14)29-13-20-26-18-12-17(9-10-19(18)27(20)3)25-21(28)16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H,25,28)