N4-[2,5-bis(chloranyl)phenyl]-N6-(6-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2,5-bis(chloranyl)phenyl]-N6-(6-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dichlorophenyl)-N6-(6-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dichlorophenyl)-N6-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dichlorophenyl)-6-N-(6-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dichloroanilino)-5-nitro-pyrimidin-4-yl]-(6-methyl-2-pyridyl)amine Formula: C16H12Cl2N6O2 MolecularWeight: 391.21148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N6O2/c1-9-3-2-4-13(21-9)23-16-14(24(25)26)15(19-8-20-16)22-12-7-10(17)5-6-11(12)18/h2-8H,1H3,(H2,19,20,21,22,23)