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

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-5-nitro-N6-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-5-nitro-N6-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(3-pyridyl)amine Formula: C16H13ClN6O2 MolecularWeight: 356.76642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN6O2/c1-10-4-5-11(17)7-13(10)22-16-14(23(24)25)15(19-9-20-16)21-12-3-2-6-18-8-12/h2-9H,1H3,(H2,19,20,21,22)