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

Systemtic Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]pyridine-3-carboxamide Openeye Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]pyridine-3-carboxamide CAS Name: N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-5-benzimidazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]pyridine-3-carboxamide Traditional Name: N-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-ethyl-benzimidazol-5-yl]nicotinamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6OS/c1-4-28-19-8-7-17(26-21(29)16-6-5-9-23-12-16)11-18(19)27-20(28)13-30-22-24-14(2)10-15(3)25-22/h5-12H,4,13H2,1-3H3,(H,26,29)