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

Systemtic Name: 6-(1,4-diazepan-1-yl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(1,4-diazepan-1-yl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine CAS Name: 6-(1,4-diazepan-1-yl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(1,4-diazepan-1-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(1,4-diazepan-1-yl)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C16H19F3N6 MolecularWeight: 352.35747

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=NC(=N2)N)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C2=CC(=NC(=N2)N)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H19F3N6/c17-16(18,19)11-3-1-4-12(9-11)22-13-10-14(24-15(20)23-13)25-7-2-5-21-6-8-25/h1,3-4,9-10,21H,2,5-8H2,(H3,20,22,23,24)