6-(4-methylpiperazin-1-yl)-N4-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-N4-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 6-(4-methylpiperazin-1-yl)-N4-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1-piperazinyl)-N4-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-[4-(trifluoromethyl)benzyl]amine Formula: C17H21F3N6 MolecularWeight: 366.38405

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)N)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)N)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H21F3N6/c1-25-6-8-26(9-7-25)15-10-14(23-16(21)24-15)22-11-12-2-4-13(5-3-12)17(18,19)20/h2-5,10H,6-9,11H2,1H3,(H3,21,22,23,24)