6-(azepan-1-yl)-N2-methyl-5-nitro-N2-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-methyl-5-nitro-N2-phenyl-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-methyl-5-nitro-N2-phenyl-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-methyl-5-nitro-N2-phenylpyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-methyl-phenyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C17H22N6O2/c1-21(13-9-5-4-6-10-13)17-19-15(18)14(23(24)25)16(20-17)22-11-7-2-3-8-12-22/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H2,18,19,20)