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

Systemtic Name: N6-(5-bromanylpyridin-2-yl)-N4-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-bromo-2-pyridyl)-N4-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-bromo-2-pyridinyl)-N4-butyl-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-bromopyridin-2-yl)-4-N-butyl-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]-butyl-methyl-amine Formula: C14H17BrN6O2 MolecularWeight: 381.22778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=NC=C(C=C2)Br

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=NC=C(C=C2)Br

InChI

InChI=1S/C14H17BrN6O2/c1-3-4-7-20(2)14-12(21(22)23)13(17-9-18-14)19-11-6-5-10(15)8-16-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17,18,19)