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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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