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

Systemtic Name: 2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole Openeye Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole CAS Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]-6-(4-methyl-1-piperazinyl)-1H-benzimidazole IUPAC Name: 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole Traditional Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]-6-(4-methylpiperazino)-1H-benzimidazole Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C21H27N5OS/c1-14-12-22-19(15(2)20(14)27-4)13-28-21-23-17-6-5-16(11-18(17)24-21)26-9-7-25(3)8-10-26/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,24)