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

Systemtic Name: N4-tert-butyl-N6-(2-chloranylpyridin-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-(2-chloro-3-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(2-chloro-3-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-(2-chloropyridin-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C13H15ClN6O2 MolecularWeight: 322.7502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(N=CC=C2)Cl

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C13H15ClN6O2/c1-13(2,3)19-12-9(20(21)22)11(16-7-17-12)18-8-5-4-6-15-10(8)14/h4-7H,1-3H3,(H2,16,17,18,19)