1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]-3-pyrimidin-4-yl-urea

Systemtic Name: 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]-3-pyrimidin-4-yl-urea Openeye Name: 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoro-phenyl]-3-pyrimidin-4-yl-urea CAS Name: 1-[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-fluorophenyl]-3-(4-pyrimidinyl)urea IUPAC Name: 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]-3-pyrimidin-4-ylurea Traditional Name: 1-[3-[(4-esylpiperazino)methyl]-2-fluoro-phenyl]-3-(4-pyrimidyl)urea Formula: C18H23FN6O3S MolecularWeight: 422.477023

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=C(C(=CC=C2)NC(=O)NC3=NC=NC=C3)F

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=C(C(=CC=C2)NC(=O)NC3=NC=NC=C3)F

InChI

InChI=1S/C18H23FN6O3S/c1-2-29(27,28)25-10-8-24(9-11-25)12-14-4-3-5-15(17(14)19)22-18(26)23-16-6-7-20-13-21-16/h3-7,13H,2,8-12H2,1H3,(H2,20,21,22,23,26)