Molecule ID: 581481

IUPAC Name: 7,8-dimethyl-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone

Description: The molecule is a member of the class of cyclobutadipyrimidines that is hexahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone carrying two additional methyl substituents at positions 4a and 4b. It has a role as a Mycoplasma genitalium metabolite.

SMILES: CC12C(O)=NC(O)=NC1C1N=C(O)N=C(O)C12C

SELFIES: [C][C][C][Branch1][C][O][=N][C][Branch1][C][O][=N][C][Ring1][Branch2][C][N][=C][Branch1][C][O][N][=C][Branch1][C][O][C][Ring1][Branch2][Ring1][S][C]

InChI: InChI=1S/C10H12N4O4/c1-9-3(11-7(17)13-5(9)15)4-10(9,2)6(16)14-8(18)12-4/h3-4H,1-2H3,(H2,11,13,15,17)(H2,12,14,16,18)

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: -1.8