N4-(2-chlorophenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-chlorophenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(2-chlorophenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-(2-chlorophenyl)-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-(2-chlorophenyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: [6-(2-chloroanilino)-5-nitro-pyrimidin-4-yl]-propyl-amine Formula: C13H14ClN5O2 MolecularWeight: 307.73556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2Cl

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2Cl

InChI

InChI=1S/C13H14ClN5O2/c1-2-7-15-12-11(19(20)21)13(17-8-16-12)18-10-6-4-3-5-9(10)14/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18)