6-(azepan-1-yl)-5-nitro-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C15H18N6O2 MolecularWeight: 314.34242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O2/c22-21(23)13-14(19-12-7-3-4-8-16-12)17-11-18-15(13)20-9-5-1-2-6-10-20/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,17,18,19)