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

Systemtic Name: N6-(4-bromophenyl)-N4-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-bromophenyl)-N4-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-bromophenyl)-N4-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-bromophenyl)-4-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C18H16BrN5O2 MolecularWeight: 414.25594

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O2/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)