N-(3-chlorophenyl)-5-[(oxan-4-ylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

Systemtic Name: N-(3-chlorophenyl)-5-[(oxan-4-ylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-(3-chlorophenyl)-5-[(tetrahydropyran-4-ylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine CAS Name: N-(3-chlorophenyl)-5-[(4-oxanylmethylamino)methyl]-4-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-5-[(oxan-4-ylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methyl-(tetrahydropyran-4-ylmethyl)amine Formula: C18H20ClF3N4O MolecularWeight: 400.82581

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNCC2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1COCCC1CNCC2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20ClF3N4O/c19-14-2-1-3-15(8-14)25-17-24-11-13(16(26-17)18(20,21)22)10-23-9-12-4-6-27-7-5-12/h1-3,8,11-12,23H,4-7,9-10H2,(H,24,25,26)