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

Systemtic Name: 3-[6-(4-azanyl-2-fluoranyl-phenoxy)pyrimidin-4-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)piperidin-4-yl]urea Openeye Name: 3-[6-(4-amino-2-fluoro-phenoxy)pyrimidin-4-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)-4-piperidyl]urea CAS Name: 3-[6-(4-amino-2-fluorophenoxy)-4-pyrimidinyl]-1-methyl-1-[1-(1-methyl-3-azetidinyl)-4-piperidinyl]urea IUPAC Name: 3-[6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)piperidin-4-yl]urea Traditional Name: 3-[6-(4-amino-2-fluoro-phenoxy)pyrimidin-4-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)-4-piperidyl]urea Formula: C21H28FN7O2 MolecularWeight: 429.491123

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN7O2/c1-27-11-16(12-27)29-7-5-15(6-8-29)28(2)21(30)26-19-10-20(25-13-24-19)31-18-4-3-14(23)9-17(18)22/h3-4,9-10,13,15-16H,5-8,11-12,23H2,1-2H3,(H,24,25,26,30)