The Pyrido[3, 4-d]pyrimidine-2, 4(1H, 3H)-dione, with the CAS registry number 21038-67-5, is also known as NSC 127963. This chemical's molecular formula is C₇H₅N₃O₂ and molecular weight is 163.13. What's more, its IUPAC name is 1H-Pyrido[3, 4-d]pyrimidine-2, 4-dione.

Physical properties about Pyrido[3, 4-d]pyrimidine-2, 4(1H, 3H)-dione are: (1)ACD/LogP: -0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 14.15; (6)ACD/KOC (pH 7.4): 13.45; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 53.51 Å²; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 38.86 cm³; (13)Molar Volume: 114.5 cm³; (14)Polarizability: 15.4×10^-24 cm³; (15)Surface Tension: 57 dyne/cm; (16)Density: 1.424 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccncc1NC(=O)N2
(2) InChI: InChI=1/C7H5N3O2/c11-6-4-1-2-8-3-5(4)9-7(12)10-6/h1-3H,(H2,9,10,11,12)
(3) InChIKey: MNNWQAIAFUMNOS-UHFFFAOYAR