Molecular Formula: C56H46N8O10
Molecular weight: 991.01204
InChi: InChI=1S/C56H46N8O10/c1-33-9-17-37(18-10-33)53(65)69-27-45-43(73-55(67)39-21-13-35(3)14-22-39)25-47(71-45)63-31-61-49-41(57-29-59-51(49)63)7-5-6-8-42-50-52(60-30-58-42)64(32-62-50)48-26-44(74-56(68)40-23-15-36(4)16-24-40)46(72-48)28-70-54(66)38-19-11-34(2)12-20-38/h9-24,29-32,43-48H,25-28H2,1-4H3/t43-,44-,45+,46+,47+,48+/m0/s1
InChi Key: BMRNHTZZZRBQGM-XZDVQWHVSA-N
SMILES: n1(c2c(nc1)c(ncn2)C#CC#Cc1c2c(n(cn2)[C@H]2C[C@@H]([C@H](O2)COC(=O)c2ccc(cc2)C)OC(=O)c2ccc(cc2)C)ncn1)[C@H]1C[C@@H]([C@H](O1)COC(=O)c1ccc(cc1)C)OC(=O)c1ccc(cc1)C
Chemical Name
1,4-bis{9-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]purin-6-yl}butadiyne
1,4-bis{9-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]purin-6-yl}butadiyne