1-[[2-fluoranyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[[2-fluoranyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[2-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[[2-fluoro-5-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]methyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[2-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[2-fluoro-5-[(4-mesylpiperazino)methyl]benzyl]-1-(6-methyl-3-pyridyl)urea Formula: C20H26FN5O3S MolecularWeight: 435.515543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N(CC2=C(C=CC(=C2)CN3CCN(CC3)S(=O)(=O)C)F)C(=O)N

Isomeric SMILES

CC1=NC=C(C=C1)N(CC2=C(C=CC(=C2)CN3CCN(CC3)S(=O)(=O)C)F)C(=O)N

InChI

InChI=1S/C20H26FN5O3S/c1-15-3-5-18(12-23-15)26(20(22)27)14-17-11-16(4-6-19(17)21)13-24-7-9-25(10-8-24)30(2,28)29/h3-6,11-12H,7-10,13-14H2,1-2H3,(H2,22,27)