2-[(2E)-2-[(2-azanyl-6-oxidanylidene-3H-purin-7-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]ethylphosphonic acid

Systemtic Name: 2-[(2E)-2-[(2-azanyl-6-oxidanylidene-3H-purin-7-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]ethylphosphonic acid Openeye Name: 2-[(2E)-2-[(2-amino-6-oxo-3H-purin-7-yl)methylene]-1-(hydroxymethyl)cyclopropyl]ethylphosphonic acid CAS Name: 2-[(2E)-2-[(2-amino-6-oxo-3H-purin-7-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]ethylphosphonic acid IUPAC Name: 2-[(2E)-2-[(2-amino-6-oxo-3H-purin-7-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]ethylphosphonic acid Traditional Name: 2-[(2E)-2-[(2-amino-6-keto-3H-purin-7-yl)methylene]-1-methylol-cyclopropyl]ethylphosphonic acid Formula: C12H16N5O5P MolecularWeight: 341.259701

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CN2C=NC3=C2C(=O)N=C(N3)N)C1(CCP(=O)(O)O)CO

Isomeric SMILES

C1/C(=C\N2C=NC3=C2C(=O)N=C(N3)N)/C1(CCP(=O)(O)O)CO

InChI

InChI=1S/C12H16N5O5P/c13-11-15-9-8(10(19)16-11)17(6-14-9)4-7-3-12(7,5-18)1-2-23(20,21)22/h4,6,18H,1-3,5H2,(H2,20,21,22)(H3,13,15,16,19)/b7-4+