Chemical Compound

C21H27N7O13P2S

CAS Registry Number 4090-29-3
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C21H27N7O13P2S chemical structure
Primary Record

C21H27N7O13P2S

In stock
3,940 g
Purity
98.7 %
CAS
4090-29-3

Compound Identifiers & Properties

CAS
4090-29-3
PubChem CID
168313868
SMILES
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=N)[S-]
Canonical SMILES
N=C([S-])c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1

Names & Synonyms

  • C21H27N7O13P2S
  • MFCD00079609
  • THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE
  • [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
  • 4090-29-3