2-(2-Amino-5-Nitro-6-Oxo-3,6-Dihydro-4-Pyrimidinyl)-3-(3-Thienyl)(1-¹⁴C)Propanenitrile
[CAS# 115787-67-2]

Identification

• Name: 2-(2-Amino-5-Nitro-6-Oxo-3,6-Dihydro-4-Pyrimidinyl)-3-(3-Thienyl)(1-¹⁴C)Propanenitrile
• Molecular Formula: C₁₀₁₄CH₉N₅O₃S
• Molecular Weight: 293.28
• CAS Registry Number: 115787-67-2
• SMILES: c1cscc1CC(C#N)c2c(c(=O)nc([nH]2)N)[N+](=O)[O-]
• InChI: 1S/C11H9N5O3S/c12-4-7(3-6-1-2-20-5-6)8-9(16(18)19)10(17)15-11(13)14-8/h1-2,5,7H,3H2,(H3,13,14,15,17)/i4+2
• InChIKey: KZCXUJYOMDAJJN-DOMIDYPGSA-N

Properties

• Density: 1.685g/cm³ (Cal.)
• Refractive index: 1.778 (Cal.)