Molecule ID: 118987303

IUPAC Name: 6,9-diamino-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodeca-5,9-diene-4,11-dione

Description: The molecule is a member of the class of cyclobutadipyrimidines that is 1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,7-dione carrying two additional amino substituents at positions 4 and 5. It has a role as a Mycoplasma genitalium metabolite.

SMILES: N=C1NC(O)=NC2C3N=C(O)NC(=N)C3C12

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

InChI: InChI=1S/C8H10N6O2/c9-5-1-2-4(3(1)11-7(15)13-5)12-8(16)14-6(2)10/h1-4H,(H3,9,11,13,15)(H3,10,12,14,16)

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -3.2