黄嘌呤,1,3-二甲基-(8CI,9CI)(3624-44-0)名称与标识符
名称
英文别名:
Xanthosine,1,3-dimethyl- (8CI,9CI);Xanthosine, 1,3-dimethyl-;1,3-Dimethyl-2,3-dihydroxanthosine;DTXSID90957630;Theophylline 9-beta-D-riboside;Theophylline 9-riboside;1,3-Dimethyl-9-pentofuranosyl-3,9-dihydro-1H-purine-2,6-dione;3624-44-0;SCHEMBL4778753;
标识符
InChIKey:
KCBJWMSBKDOKRM-IOSLPCCCSA-N
Inchi:
1S/C12H16N4O6/c1-14-9-6(10(20)15(2)12(14)21)13-4-16(9)11-8(19)7(18)5(3-17)22-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7-,8-,11-/m1/s1
SMILES:
O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C(N(C)C(N(C)C1=2)=O)=O)O)O