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

Systemtic Name: N-(3-chlorophenyl)-5-[(cyclohexylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-(3-chlorophenyl)-5-[(cyclohexylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine CAS Name: N-(3-chlorophenyl)-5-[(cyclohexylmethylamino)methyl]-4-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-5-[(cyclohexylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methyl-(cyclohexylmethyl)amine Formula: C19H22ClF3N4 MolecularWeight: 398.85299

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNCC2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)CNCC2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClF3N4/c20-15-7-4-8-16(9-15)26-18-25-12-14(17(27-18)19(21,22)23)11-24-10-13-5-2-1-3-6-13/h4,7-9,12-13,24H,1-3,5-6,10-11H2,(H,25,26,27)