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

Systemtic Name: N6-(5-bromanylpyridin-2-yl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-bromo-2-pyridyl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-bromo-2-pyridinyl)-N4-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-bromopyridin-2-yl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-bromo-2-pyridyl)-[6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H15BrN6O4 MolecularWeight: 447.2428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN6O4/c1-27-11-4-5-13(28-2)12(7-11)22-16-15(24(25)26)17(21-9-20-16)23-14-6-3-10(18)8-19-14/h3-9H,1-2H3,(H2,19,20,21,22,23)