[(E)-2-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)ethenyl]phosphonic acid

Systemtic Name: [(E)-2-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)ethenyl]phosphonic acid Openeye Name: [(E)-2-(2-acetamido-6-oxo-3H-purin-9-yl)vinyl]phosphonic acid CAS Name: [(E)-2-(2-acetamido-6-oxo-3H-purin-9-yl)ethenyl]phosphonic acid IUPAC Name: [(E)-2-(2-acetamido-6-oxo-3H-purin-9-yl)ethenyl]phosphonic acid Traditional Name: [(E)-2-(2-acetamido-6-keto-3H-purin-9-yl)vinyl]phosphonic acid Formula: C9H10N5O5P MolecularWeight: 299.179961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C=CP(=O)(O)O

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)/C=C/P(=O)(O)O

InChI

InChI=1S/C9H10N5O5P/c1-5(15)11-9-12-7-6(8(16)13-9)10-4-14(7)2-3-20(17,18)19/h2-4H,1H3,(H2,17,18,19)(H2,11,12,13,15,16)/b3-2+