N2-(4-bromophenyl)-N4-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(4-bromophenyl)-N4-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-bromophenyl)-N4-[(1-methyl-4-piperidyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine CAS Name: N2-(4-bromophenyl)-N4-[(1-methyl-4-piperidinyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-bromophenyl)-4-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine Traditional Name: [2-(4-bromoanilino)-5-(trifluoromethyl)pyrimidin-4-yl]-[(1-methyl-4-piperidyl)methyl]amine Formula: C18H21BrF3N5 MolecularWeight: 444.29205

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)Br

Isomeric SMILES

CN1CCC(CC1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H21BrF3N5/c1-27-8-6-12(7-9-27)10-23-16-15(18(20,21)22)11-24-17(26-16)25-14-4-2-13(19)3-5-14/h2-5,11-12H,6-10H2,1H3,(H2,23,24,25,26)