[(E)-3-(2-azanyl-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl)prop-2-enoxy]methylphosphonic acid

Systemtic Name: [(E)-3-(2-azanyl-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl)prop-2-enoxy]methylphosphonic acid Openeye Name: [(E)-3-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)allyloxy]methylphosphonic acid CAS Name: [(E)-3-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)prop-2-enoxy]methylphosphonic acid IUPAC Name: [(E)-3-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)prop-2-enoxy]methylphosphonic acid Traditional Name: [(E)-3-(2-amino-6-keto-4,5-dihydro-1H-purin-9-yl)allyloxy]methylphosphonic acid Formula: C9H14N5O5P MolecularWeight: 303.211721

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(N1C=CCOCP(=O)(O)O)N=C(NC2=O)N

Isomeric SMILES

C1=NC2C(N1/C=C/COCP(=O)(O)O)N=C(NC2=O)N

InChI

InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-4-14(7)2-1-3-19-5-20(16,17)18/h1-2,4,6-7H,3,5H2,(H2,16,17,18)(H3,10,12,13,15)/b2-1+