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

Systemtic Name: N-(3-chlorophenyl)-5-[(cyclohexylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-(3-chlorophenyl)-5-[(cyclohexylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine CAS Name: N-(3-chlorophenyl)-5-[(cyclohexylamino)methyl]-4-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-5-[(cyclohexylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methyl-cyclohexyl-amine Formula: C18H20ClF3N4 MolecularWeight: 384.82641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)NCC2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20ClF3N4/c19-13-5-4-8-15(9-13)25-17-24-11-12(16(26-17)18(20,21)22)10-23-14-6-2-1-3-7-14/h4-5,8-9,11,14,23H,1-3,6-7,10H2,(H,24,25,26)