6-(azepan-1-yl)-N-ethyl-N-(3-methylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-ethyl-N-(3-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-ethyl-N-(m-tolyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-ethyl-N-(3-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-ethyl-N-(3-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C19H25N5O2 MolecularWeight: 355.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2/c1-3-23(16-10-8-9-15(2)13-16)19-17(24(25)26)18(20-14-21-19)22-11-6-4-5-7-12-22/h8-10,13-14H,3-7,11-12H2,1-2H3