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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-[(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)amino]ethyl]urea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-[(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)amino]ethyl]urea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[2-[[2-methyl-6-(1-pyrazolyl)-4-pyrimidinyl]amino]ethyl]urea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]urea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-[(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)amino]ethyl]urea Formula: C17H17ClFN7O MolecularWeight: 389.814583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NCCNC(=O)NC2=CC(=C(C=C2)F)Cl)N3C=CC=N3

Isomeric SMILES

CC1=NC(=CC(=N1)NCCNC(=O)NC2=CC(=C(C=C2)F)Cl)N3C=CC=N3

InChI

InChI=1S/C17H17ClFN7O/c1-11-23-15(10-16(24-11)26-8-2-5-22-26)20-6-7-21-17(27)25-12-3-4-14(19)13(18)9-12/h2-5,8-10H,6-7H2,1H3,(H,20,23,24)(H2,21,25,27)