N4-butyl-N6-(2-chloranylpyridin-3-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-N6-(2-chloranylpyridin-3-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(2-chloro-3-pyridyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-(2-chloro-3-pyridinyl)-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-(2-chloropyridin-3-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C14H17ClN6O2 MolecularWeight: 336.77678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN6O2/c1-3-4-8-20(2)14-11(21(22)23)13(17-9-18-14)19-10-6-5-7-16-12(10)15/h5-7,9H,3-4,8H2,1-2H3,(H,17,18,19)