6-nitro-N2-prop-2-enyl-N4-[2,2,2-tris(fluoranyl)ethyl]quinazoline-2,4-diamine

Systemtic Name: 6-nitro-N2-prop-2-enyl-N4-[2,2,2-tris(fluoranyl)ethyl]quinazoline-2,4-diamine Openeye Name: N2-allyl-6-nitro-N4-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine CAS Name: 6-nitro-N2-prop-2-enyl-N4-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine IUPAC Name: 6-nitro-2-N-prop-2-enyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine Traditional Name: allyl-[6-nitro-4-(2,2,2-trifluoroethylamino)quinazolin-2-yl]amine Formula: C13H12F3N5O2 MolecularWeight: 327.26189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC(F)(F)F

Isomeric SMILES

C=CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC(F)(F)F

InChI

InChI=1S/C13H12F3N5O2/c1-2-5-17-12-19-10-4-3-8(21(22)23)6-9(10)11(20-12)18-7-13(14,15)16/h2-4,6H,1,5,7H2,(H2,17,18,19,20)