6-fluoranyl-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-5-(4-methylpiperazin-1-yl)-1H-benzimidazole

Systemtic Name: 6-fluoranyl-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-5-(4-methylpiperazin-1-yl)-1H-benzimidazole Openeye Name: 6-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]-5-(4-methylpiperazin-1-yl)-1H-benzimidazole CAS Name: 6-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]-5-(4-methyl-1-piperazinyl)-1H-benzimidazole IUPAC Name: 6-fluoro-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-5-(4-methylpiperazin-1-yl)-1H-benzimidazole Traditional Name: 6-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]-5-(4-methylpiperazino)-1H-benzimidazole Formula: C21H26FN5OS MolecularWeight: 415.527443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSC2=NC3=CC(=C(C=C3N2)F)N4CCN(CC4)C

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CSC2=NC3=CC(=C(C=C3N2)F)N4CCN(CC4)C

InChI

InChI=1S/C21H26FN5OS/c1-13-11-23-18(14(2)20(13)28-4)12-29-21-24-16-9-15(22)19(10-17(16)25-21)27-7-5-26(3)6-8-27/h9-11H,5-8,12H2,1-4H3,(H,24,25)