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

Systemtic Name: 6-(azepan-1-yl)-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-methyl-5-nitro-N-phenyl-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-methyl-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C17H21N5O2/c1-20(14-9-5-4-6-10-14)16-15(22(23)24)17(19-13-18-16)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3