3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-(methylamino)-5-nitro-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(methylamino)-5-nitropyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzonitrile Formula: C12H10N6O2 MolecularWeight: 270.2468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N6O2/c1-14-11-10(18(19)20)7-15-12(17-11)16-9-4-2-3-8(5-9)6-13/h2-5,7H,1H3,(H2,14,15,16,17)