2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-8-[(3-Methylpyrido[3,2-e]Benzimidazol-2-Yl)Amino]-3H-Purin-6-One
[CAS# 115747-35-8]

Identification

• Name: 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-8-[(3-Methylpyrido[3,2-e]Benzimidazol-2-Yl)Amino]-3H-Purin-6-One
• Synonyms: 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8-[(3-Methylpyrido[3,2-E]Benzimidazol-2-Yl)Amino]-3H-Purin-6-One; 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-8-[(3-Methyl-2-Pyrido[3,2-E]Benzimidazolyl)Amino]-3H-Purin-6-One; 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-8-[(3-Methylpyrido[3,2-E]Benzimidazol-2-Yl)Amino]-3H-Purin-6-One
• Molecular Formula: C₂₁H₂₁N₉O₄
• Molecular Weight: 463.45
• CAS Registry Number: 115747-35-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO)[N]2C6=C(N=C2NC3=NC4=C([N]3C)C=CC5=C4C=CC=N5)C(=O)N=C(N6)N
• InChI: 1S/C21H21N9O4/c1-29-11-5-4-10-9(3-2-6-23-10)15(11)24-20(29)28-21-25-16-17(26-19(22)27-18(16)33)30(21)14-7-12(32)13(8-31)34-14/h2-6,12-14,31-32H,7-8H2,1H3,(H,24,25,28)(H3,22,26,27,33)/t12-,13+,14+/m0/s1
• InChIKey: BUWFHGJSHMKENO-BFHYXJOUSA-N

Properties

• Density: 1.905g/cm³ (Cal.)
• Boiling point: 904.412°C at 760 mmHg (Cal.)
• Flash point: 500.771°C (Cal.)