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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-pyridin-3-yl-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-5-nitro-N-(3-pyridyl)pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-(3-pyridinyl)-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-N-pyridin-3-ylpyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(3-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=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O2/c22-21(23)13-14(19-12-6-5-7-16-10-12)17-11-18-15(13)20-8-3-1-2-4-9-20/h5-7,10-11H,1-4,8-9H2,(H,17,18,19)