N4-(3-chlorophenyl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chlorophenyl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2-methoxyethyl)amine Formula: C13H14ClN5O3 MolecularWeight: 323.73496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Cl

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H14ClN5O3/c1-22-6-5-15-12-11(19(20)21)13(17-8-16-12)18-10-4-2-3-9(14)7-10/h2-4,7-8H,5-6H2,1H3,(H2,15,16,17,18)