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

Systemtic Name: 6-(azepan-1-yl)-N-(5-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(5-methyl-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(5-methyl-2-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(5-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(5-methyl-2-pyridyl)amine Formula: C16H20N6O2 MolecularWeight: 328.369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C16H20N6O2/c1-12-6-7-13(17-10-12)20-15-14(22(23)24)16(19-11-18-15)21-8-4-2-3-5-9-21/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18,19,20)