[(E)-4-(6-aminopurin-9-yl)oxybut-1-enyl]phosphonic acid

Systemtic Name: [(E)-4-(6-aminopurin-9-yl)oxybut-1-enyl]phosphonic acid Openeye Name: [(E)-4-(6-aminopurin-9-yl)oxybut-1-enyl]phosphonic acid CAS Name: [(E)-4-(6-aminopurin-9-yl)oxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-4-(6-aminopurin-9-yl)oxybut-1-enyl]phosphonic acid Traditional Name: [(E)-4-adenin-9-yloxybut-1-enyl]phosphonic acid Formula: C9H12N5O4P MolecularWeight: 285.196441

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2OCCC=CP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2OCC/C=C/P(=O)(O)O

InChI

InChI=1S/C9H12N5O4P/c10-8-7-9(12-5-11-8)14(6-13-7)18-3-1-2-4-19(15,16)17/h2,4-6H,1,3H2,(H2,10,11,12)(H2,15,16,17)/b4-2+