6-(benzotriazol-1-yl)-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-methyl-5-nitro-N-phenyl-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-methyl-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C17H13N7O2 MolecularWeight: 347.33082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H13N7O2/c1-22(12-7-3-2-4-8-12)16-15(24(25)26)17(19-11-18-16)23-14-10-6-5-9-13(14)20-21-23/h2-11H,1H3