N4-(4-methylphenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methylphenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-phenyl-N4-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methylphenyl)-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(p-tolyl)amine Formula: C17H15N5O2 MolecularWeight: 321.3333

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O2/c1-12-7-9-14(10-8-12)21-17-15(22(23)24)16(18-11-19-17)20-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20,21)