IUPAC Name :3-methyl-7H-purine-2,6-dione
InChI :InChI=1/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
Std.InChI: InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
InChIKey :GMSNIKWWOQHZGF-UHFFFAOYAL
Std.InChIKey: GMSNIKWWOQHZGF-UHFFFAOYSA-N
SMILES :CN1C2=C(C(=O)NC1=O)NC=N2
MDL: MFCD00005580
Molar Refractivity :39.73 ± 0.5 cm3 (est)
Parachor :273.6 ± 8.0 cm3 (est)
Index of Refraction :1.827 ± 0.05
(est)
Surface Tension :82.8 ± 7.0 dyne/cm (est)
Density :1.83 ± 0.1 g/cm3 (est)
Polarizability :15.75 ± 0.5 10-24cm3 (est)