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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C18H23N5O2 MolecularWeight: 341.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2/c24-23(25)16-17(19-11-10-15-8-4-3-5-9-15)20-14-21-18(16)22-12-6-1-2-7-13-22/h3-5,8-9,14H,1-2,6-7,10-13H2,(H,19,20,21)