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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]ethyl]urea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]ethyl]urea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[2-[[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]ethyl]urea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-[(2-methyl-6-pyrrolidino-pyrimidin-4-yl)amino]ethyl]urea Formula: C18H22ClFN6O MolecularWeight: 392.858283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NCCNC(=O)NC2=CC(=C(C=C2)F)Cl)N3CCCC3

Isomeric SMILES

CC1=NC(=CC(=N1)NCCNC(=O)NC2=CC(=C(C=C2)F)Cl)N3CCCC3

InChI

InChI=1S/C18H22ClFN6O/c1-12-23-16(11-17(24-12)26-8-2-3-9-26)21-6-7-22-18(27)25-13-4-5-15(20)14(19)10-13/h4-5,10-11H,2-3,6-9H2,1H3,(H,21,23,24)(H2,22,25,27)