N4-(2-ethylphenyl)-N6-(4-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-ethylphenyl)-N6-(4-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-ethylphenyl)-N6-(4-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-ethylphenyl)-N6-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]-(4-fluorophenyl)amine Formula: C18H16FN5O2 MolecularWeight: 353.350343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN5O2/c1-2-12-5-3-4-6-15(12)23-18-16(24(25)26)17(20-11-21-18)22-14-9-7-13(19)8-10-14/h3-11H,2H2,1H3,(H2,20,21,22,23)