1-(2,6-dimethylpyridin-4-yl)-3-[2-fluoranyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]urea

Systemtic Name: 1-(2,6-dimethylpyridin-4-yl)-3-[2-fluoranyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-(2,6-dimethyl-4-pyridyl)-3-[2-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]urea CAS Name: 1-(2,6-dimethyl-4-pyridinyl)-3-[2-fluoro-3-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]urea IUPAC Name: 1-(2,6-dimethylpyridin-4-yl)-3-[2-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-(2,6-dimethyl-4-pyridyl)-3-[2-fluoro-3-[(4-mesylpiperazino)methyl]phenyl]urea Formula: C20H26FN5O3S MolecularWeight: 435.515543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=N1)C)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H26FN5O3S/c1-14-11-17(12-15(2)22-14)23-20(27)24-18-6-4-5-16(19(18)21)13-25-7-9-26(10-8-25)30(3,28)29/h4-6,11-12H,7-10,13H2,1-3H3,(H2,22,23,24,27)