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

Systemtic Name: N4-(2-methylphenyl)-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(o-tolyl)-N6-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(2-methylphenyl)-5-nitro-N6-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylphenyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(o-toluidino)pyrimidin-4-yl]-(3-pyridyl)amine Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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