N7-ethyl-6-nitro-N4-[[3-(trifluoromethyl)phenyl]methyl]quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N4-[[3-(trifluoromethyl)phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[3-(trifluoromethyl)phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[3-(trifluoromethyl)phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[[3-(trifluoromethyl)phenyl]methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[[3-(trifluoromethyl)benzyl]amino]quinazolin-7-yl]amine Formula: C18H16F3N5O2 MolecularWeight: 391.34715

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N5O2/c1-2-22-15-8-14-13(7-16(15)26(27)28)17(25-10-24-14)23-9-11-4-3-5-12(6-11)18(19,20)21/h3-8,10,22H,2,9H2,1H3,(H,23,24,25)