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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC(F)(F)F

Isomeric SMILES

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC(F)(F)F

InChI

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