sodium; 5-methyl-2-(trifluoromethyl)quinazolin-4-amine; phenylbenzene

Systemtic Name: sodium; 5-methyl-2-(trifluoromethyl)quinazolin-4-amine; phenylbenzene Openeye Name: sodium; 5-methyl-2-(trifluoromethyl)quinazolin-4-amine; phenylbenzene CAS Name: sodium; 5-methyl-2-(trifluoromethyl)-4-quinazolinamine; phenylbenzene IUPAC Name: sodium; 5-methyl-2-(trifluoromethyl)quinazolin-4-amine; phenylbenzene Traditional Name: sodium; [5-methyl-2-(trifluoromethyl)quinazolin-4-yl]amine; phenylbenzene Formula: C22H17F3N3Na MolecularWeight: 403.37546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N=C2N)C(F)(F)F.C1=CC=C(C=C1)C2=CC=[C-]C=C2.[Na+]

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N=C2N)C(F)(F)F.C1=CC=C(C=C1)C2=CC=[C-]C=C2.[Na+]

InChI

InChI=1S/C12H9.C10H8F3N3.Na/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-3-2-4-6-7(5)8(14)16-9(15-6)10(11,12)13;/h1,3-10H;2-4H,1H3,(H2,14,15,16);/q-1;;+1