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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(N=CC=C2)Cl

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C14H17ClN6O2/c1-9(2)5-7-17-13-11(21(22)23)14(19-8-18-13)20-10-4-3-6-16-12(10)15/h3-4,6,8-9H,5,7H2,1-2H3,(H2,17,18,19,20)