Molecule ID: 118987304

IUPAC Name: 9-amino-7-methyl-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodec-9-ene-4,6,11-trione

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-2,4,7(3H)-trione carrying additional methyl and amino substituents at positions 4a and 5 respectively. It has a role as a Mycoplasma genitalium metabolite.

SMILES: CC12C(O)=NC(O)=NC1C1N=C(O)NC(=N)C12

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][=N][C][Ring1][Branch2][Ring1][S]

InChI: InChI=1S/C9H11N5O3/c1-9-2-3(11-7(16)13-5(2)10)4(9)12-8(17)14-6(9)15/h2-4H,1H3,(H3,10,11,13,16)(H2,12,14,15,17)

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