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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-phenyl-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-phenyl-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2/c22-21(23)14-15(19-13-8-4-3-5-9-13)17-12-18-16(14)20-10-6-1-2-7-11-20/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,17,18,19)