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

Systemtic Name: 6-(azepan-1-yl)-N-(4-bromophenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(4-bromophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(4-bromophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(4-bromophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(4-bromophenyl)amine Formula: C16H18BrN5O2 MolecularWeight: 392.25042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN5O2/c17-12-5-7-13(8-6-12)20-15-14(22(23)24)16(19-11-18-15)21-9-3-1-2-4-10-21/h5-8,11H,1-4,9-10H2,(H,18,19,20)