6-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-[(2-chlorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-chlorobenzyl)amine Formula: C17H20ClN5O2 MolecularWeight: 361.826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O2/c18-14-8-4-3-7-13(14)11-19-16-15(23(24)25)17(21-12-20-16)22-9-5-1-2-6-10-22/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,19,20,21)