tert-butyl N-[[5-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]-2-methyl-phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[5-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]-2-methyl-phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[5-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]-2-methyl-phenyl]methyl]carbamate CAS Name: N-[[5-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]-2-methylphenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylphenyl]methyl]carbamate Traditional Name: N-[5-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]-2-methyl-benzyl]carbamic acid tert-butyl ester Formula: C17H20ClFN4O2 MolecularWeight: 366.817703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC=C2F)Cl)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC=C2F)Cl)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C17H20ClFN4O2/c1-10-5-6-12(22-14-13(19)9-20-15(18)23-14)7-11(10)8-21-16(24)25-17(2,3)4/h5-7,9H,8H2,1-4H3,(H,21,24)(H,20,22,23)