Tiazofurin adenine dinucleotide

Molecular Formula: C₁₉H₂₅N₇O₁₄P₂S

InChI: InChI=1/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1/f/h32,34H,20-21H2

InChIKey: InChIKey=INQLNSVYIFCUML-BPCFAXIQDK
SMILES: C1=C(N=C(S1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N

Names:
    Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 2-beta-D-ribofuranosyl-4-thiazolecarboxamide
    NSC 358285
    TCAD
    Thiazole-4-carboxamide adenine dinucleotide
    Tiazofurin adenine dinucleotide
    83285-83-0
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid

Registries:
    PubChem CID 73680
    PubChem ID 215923