2-[[3-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

Systemtic Name: 2-[[3-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridyl]methylsulfinyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[2-(4-methyl-1-piperazinyl)ethoxy]-2-pyridinyl]methylsulfinyl]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[2-(4-methylpiperazino)ethoxy]-2-pyridyl]methylsulfinyl]-1H-benzimidazole Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCN4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCN4CCN(CC4)C

InChI

InChI=1S/C21H27N5O2S/c1-16-19(15-29(27)21-23-17-5-3-4-6-18(17)24-21)22-8-7-20(16)28-14-13-26-11-9-25(2)10-12-26/h3-8H,9-15H2,1-2H3,(H,23,24)