2-chloranyl-5-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 2-chloranyl-5-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-5-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzonitrile CAS Name: 2-chloro-5-[[4-(methylamino)-5-nitro-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 2-chloro-5-[[4-(methylamino)-5-nitropyrimidin-2-yl]amino]benzonitrile Traditional Name: 2-chloro-5-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzonitrile Formula: C12H9ClN6O2 MolecularWeight: 304.69186

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)C#N

Isomeric SMILES

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)C#N

InChI

InChI=1S/C12H9ClN6O2/c1-15-11-10(19(20)21)6-16-12(18-11)17-8-2-3-9(13)7(4-8)5-14/h2-4,6H,1H3,(H2,15,16,17,18)