Ethyl cyano(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetate
[CAS# 71436-97-0]

Identification

• Name: Ethyl cyano(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetate
• Synonyms: ethyl α-cyano-2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purine-8-acetate
• Molecular Formula: C₁₃H₁₅N₅O₄
• Molecular Weight: 305.29
• CAS Registry Number: 71436-97-0
• EINECS: 275-456-9
• SMILES: CCOC(=O)C(C#N)c2nc1N(C)C(=O)N(C)C(=O)c1n2C
• InChI: 1S/C13H15N5O4/c1-5-22-12(20)7(6-14)9-15-10-8(16(9)2)11(19)18(4)13(21)17(10)3/h7H,5H2,1-4H3
• InChIKey: BMIKTCIKJATOHU-UHFFFAOYSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 534.641°C at 760 mmHg (Cal.)
• Flash point: 277.141°C (Cal.)