N2-(3-bromophenyl)-N4-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(3-bromophenyl)-N4-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine Openeye Name: N2-(3-bromophenyl)-N4-[(1-methyl-4-piperidyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine CAS Name: N2-(3-bromophenyl)-N4-[(1-methyl-4-piperidinyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-bromophenyl)-4-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine Traditional Name: [2-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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