[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[(carbamoylmethylsulfanyl-hydroxy-phosphoryl)oxy-hydroxy-phosphoryl]oxy-phosphinic acid

Molecular Formula: C12H19N6O13P3S


InChI: InChI=1/C12H19N6O13P3S/c13-6(19)2-35-34(26,27)31-33(24,25)30-32(22,23)28-1-5-8(20)9(21)12(29-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2H2,(H2,13,19)(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1/f/h22,24,26H,13-14H2

InChIKey: InChIKey=ZAOVTTQZIXCKOL-VVJYYOIWDW
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)N)O)O

Names:
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[(carbamoylmethylsulfanyl-hydroxy-phosphoryl)oxy-hydroxy-phosphoryl]oxy-phosphinic acid

Registries:
    PubChem CID 5287416
    PubChem ID 11532603