1-(3-fluoranyl-4-methyl-phenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[4-[[6-(1-imidazolyl)-4-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea Formula: C21H18FN7O MolecularWeight: 403.412323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)N4C=CN=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)N4C=CN=C4)F

InChI

InChI=1S/C21H18FN7O/c1-14-2-3-17(10-18(14)22)28-21(30)27-16-6-4-15(5-7-16)26-19-11-20(25-12-24-19)29-9-8-23-13-29/h2-13H,1H3,(H,24,25,26)(H2,27,28,30)