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

Systemtic Name: N-(3-chlorophenyl)-5-[(2-ethylbutylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-(3-chlorophenyl)-5-[(2-ethylbutylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine CAS Name: N-(3-chlorophenyl)-5-[(2-ethylbutylamino)methyl]-4-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-5-[(2-ethylbutylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methyl-(2-ethylbutyl)amine Formula: C18H22ClF3N4 MolecularWeight: 386.84229

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNCC1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCC(CC)CNCC1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H22ClF3N4/c1-3-12(4-2)9-23-10-13-11-24-17(26-16(13)18(20,21)22)25-15-7-5-6-14(19)8-15/h5-8,11-12,23H,3-4,9-10H2,1-2H3,(H,24,25,26)