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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-21(13-15-9-5-4-6-10-15)17-16(23(24)25)18(20-14-19-17)22-11-7-2-3-8-12-22/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3