N4-(2-methylphenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylphenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(o-tolyl)-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-(2-methylphenyl)-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(o-tolyl)amine Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

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