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

Systemtic Name: N4-(2-chloranylpyridin-3-yl)-N6-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-chloro-3-pyridyl)-5-nitro-N6-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(2-chloro-3-pyridinyl)-N6-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-chloropyridin-3-yl)-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chloro-3-pyridyl)-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]amine Formula: C16H13ClN6O2 MolecularWeight: 356.76642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN6O2/c1-10-5-2-3-6-11(10)21-15-13(23(24)25)16(20-9-19-15)22-12-7-4-8-18-14(12)17/h2-9H,1H3,(H2,19,20,21,22)