N6-(3-methylphenyl)-N4-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylphenyl)-N4-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-methyl-2-pyridyl)-N6-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylphenyl)-N4-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylphenyl)-4-N-(5-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-methyl-2-pyridyl)-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H16N6O2 MolecularWeight: 336.34794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)C)[N+](=O)[O-]

InChI

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