6-(4-methyl-1,4-diazepan-1-yl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(4-methyl-1,4-diazepan-1-yl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(4-methyl-1,4-diazepan-1-yl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1,4-diazepan-1-yl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-methyl-1,4-diazepan-1-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C17H21F3N6 MolecularWeight: 366.38405

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC(=NC(=N2)N)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN1CCCN(CC1)C2=CC(=NC(=N2)N)NC3=CC=CC(=C3)C(F)(F)F

InChI

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