1-(3-fluoranyl-4-methyl-phenyl)-3-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]urea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]urea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]urea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[4-[(2-methyl-6-propoxy-4-pyrimidinyl)amino]phenyl]urea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]urea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]urea Formula: C22H24FN5O2 MolecularWeight: 409.456663

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1)NC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)F)C

Isomeric SMILES

CCCOC1=NC(=NC(=C1)NC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)F)C

InChI

InChI=1S/C22H24FN5O2/c1-4-11-30-21-13-20(24-15(3)25-21)26-16-7-9-17(10-8-16)27-22(29)28-18-6-5-14(2)19(23)12-18/h5-10,12-13H,4,11H2,1-3H3,(H,24,25,26)(H2,27,28,29)