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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N2-phenyl-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-5-nitro-N2-phenyl-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-5-nitro-N2-phenylpyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-2-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-phenyl-amine Formula: C16H20N6O2 MolecularWeight: 328.369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O2/c17-14-13(22(23)24)15(21-10-6-1-2-7-11-21)20-16(19-14)18-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H3,17,18,19,20)