Molecule ID: 71362816

IUPAC Name: 2-amino-1,3,6,8-tetrazaspiro[4.4]non-1-ene-4,7,9-trione

Description: The molecule is an azaspiro compound that is 1,3,6,8-tetraazaspiro[4.4]non-6-ene which is substituted by oxo groups at positions 2, 4, and 9. Both enantiomers are highly mutagenic products resulting from the oxidation of guanine and 8-oxo-7,8-dihydroguanine in DNA by reactive oxygen species. It has a role as a mutagen. It derives from a hydantoin.

SMILES: N=C1N=C(O)C2(N=C(O)N=C2O)N1

SELFIES: [N][=C][N][=C][Branch1][C][O][C][Branch1][O][N][=C][Branch1][C][O][N][=C][Ring1][=Branch1][O][N][Ring1][N]

InChI: InChI=1S/C5H5N5O3/c6-3-7-1(11)5(9-3)2(12)8-4(13)10-5/h(H3,6,7,9,11)(H2,8,10,12,13)

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: -2.5