IUPAC Name :3,7-dimethylpurine-2,6-dione
InChI :InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
Std.InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
InChIKey :YAPQBXQYLJRXSA-UHFFFAOYAW
Std.InChIKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES :CN1C=NC2=C1C(=O)NC(=O)N2C
MDL: MFCD00022830
Molar Refractivity :45.05 ± 0.5 cm3 (est)
Parachor :319.0 ± 8.0 cm3 (est)
Index of Refraction :1.737 ± 0.05 (est)
Surface Tension :65.7 ± 7.0 dyne/cm (est)
Density :1.60 ± 0.1 g/cm3 (est)
Polarizability :17.86 ± 0.5 10-24cm3 (est)