[(E)-3-(6-aminopurin-9-yl)oxy-4-oxidanyl-but-1-enyl]phosphonic acid

Systemtic Name: [(E)-3-(6-aminopurin-9-yl)oxy-4-oxidanyl-but-1-enyl]phosphonic acid Openeye Name: [(E)-3-(6-aminopurin-9-yl)oxy-4-hydroxy-but-1-enyl]phosphonic acid CAS Name: [(E)-3-(6-aminopurin-9-yl)oxy-4-hydroxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-3-(6-aminopurin-9-yl)oxy-4-hydroxybut-1-enyl]phosphonic acid Traditional Name: [(E)-3-adenin-9-yloxy-4-hydroxy-but-1-enyl]phosphonic acid Formula: C9H12N5O5P MolecularWeight: 301.195841

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2OC(CO)C=CP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2OC(CO)/C=C/P(=O)(O)O

InChI

InChI=1S/C9H12N5O5P/c10-8-7-9(12-4-11-8)14(5-13-7)19-6(3-15)1-2-20(16,17)18/h1-2,4-6,15H,3H2,(H2,10,11,12)(H2,16,17,18)/b2-1+