potassium; 5-methyl-2-(trifluoromethyl)-5H-cyclohepta[d]pyrimidin-4-amine; phenylbenzene

Systemtic Name: potassium; 5-methyl-2-(trifluoromethyl)-5H-cyclohepta[d]pyrimidin-4-amine; phenylbenzene Openeye Name: potassium; 5-methyl-2-(trifluoromethyl)-5H-cyclohepta[d]pyrimidin-4-amine; phenylbenzene CAS Name: potassium; 5-methyl-2-(trifluoromethyl)-5H-cyclohepta[d]pyrimidin-4-amine; phenylbenzene IUPAC Name: potassium; 5-methyl-2-(trifluoromethyl)-5H-cyclohepta[d]pyrimidin-4-amine; phenylbenzene Traditional Name: potassium; [5-methyl-2-(trifluoromethyl)-5H-cyclohepta[d]pyrimidin-4-yl]amine; phenylbenzene Formula: C23H19F3KN3 MolecularWeight: 433.51057

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC2=C1C(=NC(=N2)C(F)(F)F)N.C1=CC=C(C=C1)C2=CC=[C-]C=C2.[K+]

Isomeric SMILES

CC1C=CC=CC2=C1C(=NC(=N2)C(F)(F)F)N.C1=CC=C(C=C1)C2=CC=[C-]C=C2.[K+]

InChI

InChI=1S/C12H9.C11H10F3N3.K/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6-4-2-3-5-7-8(6)9(15)17-10(16-7)11(12,13)14;/h1,3-10H;2-6H,1H3,(H2,15,16,17);/q-1;;+1