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

Systemtic Name: N6-(3-chlorophenyl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chlorophenyl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chlorophenyl)-N4-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chlorophenyl)-4-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C18H16ClN5O2 MolecularWeight: 369.80494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C18H16ClN5O2/c1-11-6-12(2)8-15(7-11)23-18-16(24(25)26)17(20-10-21-18)22-14-5-3-4-13(19)9-14/h3-10H,1-2H3,(H2,20,21,22,23)