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

Systemtic Name: [(E)-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-but-1-enyl]phosphonic acid Openeye Name: [(E)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxy-but-1-enyl]phosphonic acid CAS Name: [(E)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybut-1-enyl]phosphonic acid Traditional Name: [(E)-3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-hydroxy-but-1-enyl]phosphonic acid Formula: C10H14N5O5P MolecularWeight: 315.222421

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CO)C=CP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC(CO)/C=C/P(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H14N5O5P/c11-10-13-8-7(9(17)14-10)12-5-15(8)3-6(4-16)1-2-21(18,19)20/h1-2,5-6,16H,3-4H2,(H2,18,19,20)(H3,11,13,14,17)/b2-1+