N4-(2,4-dimethylphenyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2,4-dimethylphenyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2,4-dimethylphenyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-(2,4-dimethylphenyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-dimethylphenyl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(3-nitrophenyl)amine Formula: C18H16N6O4 MolecularWeight: 380.35744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O4/c1-11-6-7-15(12(2)8-11)22-18-16(24(27)28)17(19-10-20-18)21-13-4-3-5-14(9-13)23(25)26/h3-10H,1-2H3,(H2,19,20,21,22)