IUPAC Name :1,3-dimethyl-7H-purine-2,6-dione
InChI :InChI=1/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
Std.InChI: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChIKey :ZFXYFBGIUFBOJW-UHFFFAOYAT
Std.InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILES :Cn1c2c(c(=O)n(c1=O)C)[nH]cn2
MDL: MFCD00079619
Molar Refractivity :43.14 ± 0.3 cm3 (est)
Parachor :352.4 ± 6.0 cm3 (est)
Index of Refraction :1.619 ± 0.02
(est)
Surface Tension :67.6 ± 3.0 dyne/cm (est)
Density :1.465 ± 0.06 g/cm3 (est)
Polarizability :17.10 ± 0.5 10-24cm3 (est)