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

Systemtic Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]-1-pyrimidin-5-yl-urea Openeye Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoro-phenyl]methyl]-1-pyrimidin-5-yl-urea CAS Name: 1-[[5-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-fluorophenyl]methyl]-1-(5-pyrimidinyl)urea IUPAC Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]methyl]-1-pyrimidin-5-ylurea Traditional Name: 1-[5-[(4-esylpiperazino)methyl]-2-fluoro-benzyl]-1-(5-pyrimidyl)urea Formula: C19H25FN6O3S MolecularWeight: 436.503603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25FN6O3S/c1-2-30(28,29)25-7-5-24(6-8-25)12-15-3-4-18(20)16(9-15)13-26(19(21)27)17-10-22-14-23-11-17/h3-4,9-11,14H,2,5-8,12-13H2,1H3,(H2,21,27)