1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]-1-(2-methylpyrimidin-5-yl)urea

Systemtic Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]-1-(2-methylpyrimidin-5-yl)urea Openeye Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoro-phenyl]methyl]-1-(2-methylpyrimidin-5-yl)urea CAS Name: 1-[[5-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-fluorophenyl]methyl]-1-(2-methyl-5-pyrimidinyl)urea IUPAC Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]methyl]-1-(2-methylpyrimidin-5-yl)urea Traditional Name: 1-[5-[(4-esylpiperazino)methyl]-2-fluoro-benzyl]-1-(2-methylpyrimidin-5-yl)urea Formula: C20H27FN6O3S MolecularWeight: 450.530183

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CN(C3=CN=C(N=C3)C)C(=O)N

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CN(C3=CN=C(N=C3)C)C(=O)N

InChI

InChI=1S/C20H27FN6O3S/c1-3-31(29,30)26-8-6-25(7-9-26)13-16-4-5-19(21)17(10-16)14-27(20(22)28)18-11-23-15(2)24-12-18/h4-5,10-12H,3,6-9,13-14H2,1-2H3,(H2,22,28)