[(E)-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxy]-4-oxidanyl-but-1-enyl]phosphonic acid

Systemtic Name: [(E)-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxy]-4-oxidanyl-but-1-enyl]phosphonic acid Openeye Name: [(E)-3-[(2-amino-6-oxo-3H-purin-9-yl)oxy]-4-hydroxy-but-1-enyl]phosphonic acid CAS Name: [(E)-3-[(2-amino-6-oxo-3H-purin-9-yl)oxy]-4-hydroxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-3-[(2-amino-6-oxo-3H-purin-9-yl)oxy]-4-hydroxybut-1-enyl]phosphonic acid Traditional Name: [(E)-3-[(2-amino-6-keto-3H-purin-9-yl)oxy]-4-hydroxy-but-1-enyl]phosphonic acid Formula: C9H12N5O6P MolecularWeight: 317.195241

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1OC(CO)C=CP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1OC(CO)/C=C/P(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H12N5O6P/c10-9-12-7-6(8(16)13-9)11-4-14(7)20-5(3-15)1-2-21(17,18)19/h1-2,4-5,15H,3H2,(H2,17,18,19)(H3,10,12,13,16)/b2-1+