4-tert-butyl-2-[(3-chlorophenyl)amino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide

Systemtic Name: 4-tert-butyl-2-[(3-chlorophenyl)amino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide Openeye Name: 4-tert-butyl-2-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide CAS Name: 4-tert-butyl-2-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-5-pyrimidinecarboxamide IUPAC Name: 4-tert-butyl-2-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide Traditional Name: 4-tert-butyl-2-(3-chloroanilino)-N-(4-fluorobenzyl)pyrimidine-5-carboxamide Formula: C22H22ClFN4O MolecularWeight: 412.887683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NC=C1C(=O)NCC2=CC=C(C=C2)F)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=NC(=NC=C1C(=O)NCC2=CC=C(C=C2)F)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H22ClFN4O/c1-22(2,3)19-18(20(29)25-12-14-7-9-16(24)10-8-14)13-26-21(28-19)27-17-6-4-5-15(23)11-17/h4-11,13H,12H2,1-3H3,(H,25,29)(H,26,27,28)