N4-(5-bromanylpyridin-2-yl)-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-bromanylpyridin-2-yl)-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-bromo-2-pyridyl)-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-bromo-2-pyridinyl)-N6-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-bromopyridin-2-yl)-6-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-bromo-2-pyridyl)-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H15BrN6O2 MolecularWeight: 415.244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-])C

InChI

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