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

Systemtic Name: N6-(4-methylphenyl)-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(p-tolyl)-N4-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(4-methylphenyl)-5-nitro-N4-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(4-methylphenyl)-5-nitro-4-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-toluidino)pyrimidin-4-yl]-(4-pyridyl)amine Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O2/c1-11-2-4-12(5-3-11)20-15-14(22(23)24)16(19-10-18-15)21-13-6-8-17-9-7-13/h2-10H,1H3,(H2,17,18,19,20,21)