1-[(2S,3R,4R,5S)-5-[[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-4H-pyridine-3-carboximidic acid

More details:

• Systematic name

  1-[(2S,3R,4R,5S)-5-[[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-4H-pyridine-3-carboximidic acid

• SMILES

  c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@@H]([C@H]([C@H](O4)N5C=CCC(=C5)C(=N)O)O)O)O)O)N

• Std. InChi

  InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)

• Std. InChIKey

  BOPGDPNILDQYTO-UHFFFAOYSA-N

• Cite this record

  CSID:21232080, http://www.chemspider.com/Chemical-Structure.21232080.html (accessed 02:53, Apr 25, 2024)