IUPAC Name :1-methyl-3,7-dihydropurine-2,6-dione
InChI :InChI=1/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
Std.InChI: InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
InChIKey :MVOYJPOZRLFTCP-UHFFFAOYAI
Std.InChIKey: MVOYJPOZRLFTCP-UHFFFAOYSA-N
SMILES :CN1C(=O)C2=C(NC1=O)N=CN2
MDL: MFCD00005561
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)