2-(azepan-1-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: 2-(azepan-1-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: 2-(azepan-1-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: 2-(1-azepanyl)-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 2-(azepan-1-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-amino-2-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C16H20N6O2 MolecularWeight: 328.369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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