5-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine Openeye Name: 5-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine CAS Name: 5-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C12H9F3N4O2 MolecularWeight: 298.22067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N=C(N=C3N)N)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N=C(N=C3N)N)C(F)(F)F

InChI

InChI=1S/C12H9F3N4O2/c13-12(14,15)9-8(10(16)19-11(17)18-9)5-1-2-6-7(3-5)21-4-20-6/h1-3H,4H2,(H4,16,17,18,19)