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

Systemtic Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dimethylphenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: [6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C17H16N6O2 MolecularWeight: 336.34794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N6O2/c1-11-6-5-7-13(12(11)2)21-16-15(23(24)25)17(20-10-19-16)22-14-8-3-4-9-18-14/h3-10H,1-2H3,(H2,18,19,20,21,22)