2-[(3-bromophenyl)amino]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-bromophenyl)amino]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-(3-bromoanilino)-N-(tetrahydropyran-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-bromoanilino)-N-(4-oxanylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-bromoanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(3-bromoanilino)-N-(tetrahydropyran-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C18H18BrF3N4O2 MolecularWeight: 459.26033

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrF3N4O2/c19-12-2-1-3-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-6-28-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,23,27)(H,24,25,26)