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

Systemtic Name: 6-(benzotriazol-1-yl)-N-ethyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-ethyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-ethyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-ethyl-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-ethyl-amine Formula: C12H11N7O2 MolecularWeight: 285.26144

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H11N7O2/c1-2-13-11-10(19(20)21)12(15-7-14-11)18-9-6-4-3-5-8(9)16-17-18/h3-7H,2H2,1H3,(H,13,14,15)