2-Amino-1-[2-(3,6-dihydro-6-imino-2-oxo-1(2H)-pyrimidinyl)ethyl]-1,9-dihydro-6H-Purin-6-one
[CAS# 126175-83-5]

Identification

• Name: 2-Amino-1-[2-(3,6-dihydro-6-imino-2-oxo-1(2H)-pyrimidinyl)ethyl]-1,9-dihydro-6H-Purin-6-one
• Synonyms: 2-Amino-1-[2-(6-Amino-2-Oxo-Pyrimidin-1-Yl)Ethyl]-7H-Purin-6-One; 2-Amino-1-[2-(6-Amino-2-Oxo-1-Pyrimidinyl)Ethyl]-7H-Purin-6-One; 2-Amino-1-[2-(6-Amino-2-Keto-Pyrimidin-1-Yl)Ethyl]-7H-Purin-6-One
• Molecular Formula: C₁₁H₁₂N₈O₂
• Molecular Weight: 288.27
• CAS Registry Number: 126175-83-5
• SMILES: C1=NC3=C([NH]1)C(=O)N(CCN2C(=CC=NC2=O)N)C(=N3)N
• InChI: 1S/C11H12N8O2/c12-6-1-2-14-11(21)18(6)3-4-19-9(20)7-8(16-5-15-7)17-10(19)13/h1-2,5H,3-4,12H2,(H2,13,17)(H,15,16)
• InChIKey: IOYUNDOORBPWRD-UHFFFAOYSA-N

Properties

• Density: 1.887g/cm³ (Cal.)
• Boiling point: 679.1°C at 760 mmHg (Cal.)
• Flash point: 364.507°C (Cal.)