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

Systemtic Name: N4-(2-chloranylpyridin-3-yl)-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-chloro-3-pyridyl)-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-chloro-3-pyridinyl)-N6-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-chloropyridin-3-yl)-6-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chloro-3-pyridyl)-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H15ClN6O2 MolecularWeight: 370.793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN6O2/c1-2-11-6-3-4-7-12(11)22-16-14(24(25)26)17(21-10-20-16)23-13-8-5-9-19-15(13)18/h3-10H,2H2,1H3,(H2,20,21,22,23)