N2-(4-chlorophenyl)-N4-(4-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(4-chlorophenyl)-N4-(4-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(4-chlorophenyl)-5-nitro-N4-(p-tolyl)pyrimidine-2,4,6-triamine CAS Name: N2-(4-chlorophenyl)-N4-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C17H15ClN6O2 MolecularWeight: 370.793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN6O2/c1-10-2-6-12(7-3-10)20-16-14(24(25)26)15(19)22-17(23-16)21-13-8-4-11(18)5-9-13/h2-9H,1H3,(H4,19,20,21,22,23)