Methyl 4-[3-[6-Amino-9-[(2R,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxyoxolan-2-Yl]Purin-2-Yl]Prop-2-Ynyl]Cyclohexane-1-Carboxylate
[CAS# 250386-15-3]

Identification

• Name: Methyl 4-[3-[6-Amino-9-[(2R,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxyoxolan-2-Yl]Purin-2-Yl]Prop-2-Ynyl]Cyclohexane-1-Carboxylate
• Synonyms: Methyl 4-[3-[6-Amino-9-[(2R,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Purin-2-Yl]Prop-2-Ynyl]Cyclohexane-1-Carboxylate; 4-[3-[6-Amino-9-[(2R,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-2-Purinyl]Prop-2-Ynyl]-1-Cyclohexanecarboxylic Acid Methyl Ester; 4-[3-[6-Amino-9-[(2R,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Purin-2-Yl]Prop-2-Ynyl]Cyclohexane-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₃H₃₀N₆O₆
• Molecular Weight: 486.53
• CAS Registry Number: 250386-15-3
• SMILES: [C@H]1(O[C@@H](C(O)C1O)C(=O)NCC)[N]3C2=NC(=NC(=C2N=C3)N)C#CCC4CC[C@@H](CC4)C(OC)=O
• InChI: 1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12?,13-,16?,17?,18-,22+/m0/s1
• InChIKey: FLEVIENZILQUKB-NMVRWCQPSA-N