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

Systemtic Name: N4-(5-bromanylpyridin-2-yl)-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-bromo-2-pyridyl)-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-bromo-2-pyridinyl)-N6-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-bromopyridin-2-yl)-6-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-bromo-2-pyridyl)-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H15BrN6O2 MolecularWeight: 415.244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN6O2/c1-2-11-5-3-4-6-13(11)22-16-15(24(25)26)17(21-10-20-16)23-14-8-7-12(18)9-19-14/h3-10H,2H2,1H3,(H2,19,20,21,22,23)