3-[6-(2-fluoranyl-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)piperidin-4-yl]urea

Systemtic Name: 3-[6-(2-fluoranyl-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)piperidin-4-yl]urea Openeye Name: 3-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)-4-piperidyl]urea CAS Name: 3-[6-(2-fluoro-4-nitrophenoxy)-4-pyrimidinyl]-1-methyl-1-[1-(1-methyl-3-azetidinyl)-4-piperidinyl]urea IUPAC Name: 3-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)piperidin-4-yl]urea Traditional Name: 3-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)-4-piperidyl]urea Formula: C21H26FN7O4 MolecularWeight: 459.474043

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C1)N2CCC(CC2)N(C)C(=O)NC3=CC(=NC=N3)OC4=C(C=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

CN1CC(C1)N2CCC(CC2)N(C)C(=O)NC3=CC(=NC=N3)OC4=C(C=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H26FN7O4/c1-26-11-16(12-26)28-7-5-14(6-8-28)27(2)21(30)25-19-10-20(24-13-23-19)33-18-4-3-15(29(31)32)9-17(18)22/h3-4,9-10,13-14,16H,5-8,11-12H2,1-2H3,(H,23,24,25,30)