[(1E)-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]buta-1,3-dienyl]phosphonic acid

Systemtic Name: [(1E)-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]buta-1,3-dienyl]phosphonic acid Openeye Name: [(1E)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]buta-1,3-dienyl]phosphonic acid CAS Name: [(1E)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]buta-1,3-dienyl]phosphonic acid IUPAC Name: [(1E)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]buta-1,3-dienyl]phosphonic acid Traditional Name: [(1E)-3-[(2-amino-6-keto-3H-purin-9-yl)methyl]buta-1,3-dienyl]phosphonic acid Formula: C10H12N5O4P MolecularWeight: 297.207141

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1C=NC2=C1NC(=NC2=O)N)C=CP(=O)(O)O

Isomeric SMILES

C=C(CN1C=NC2=C1NC(=NC2=O)N)/C=C/P(=O)(O)O

InChI

InChI=1S/C10H12N5O4P/c1-6(2-3-20(17,18)19)4-15-5-12-7-8(15)13-10(11)14-9(7)16/h2-3,5H,1,4H2,(H2,17,18,19)(H3,11,13,14,16)/b3-2+