1-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)but-3-enoxymethylphosphonic acid

Systemtic Name: 1-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)but-3-enoxymethylphosphonic acid Openeye Name: 1-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)but-3-enoxymethylphosphonic acid CAS Name: 1-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)but-3-enoxymethylphosphonic acid IUPAC Name: 1-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)but-3-enoxymethylphosphonic acid Traditional Name: 1-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)but-3-enoxymethylphosphonic acid Formula: C10H16N5O5P MolecularWeight: 317.238301

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(N1CNC2=C1NC(=NC2=O)N)OCP(=O)(O)O

Isomeric SMILES

C=CCC(N1CNC2=C1NC(=NC2=O)N)OCP(=O)(O)O

InChI

InChI=1S/C10H16N5O5P/c1-2-3-6(20-5-21(17,18)19)15-4-12-7-8(15)13-10(11)14-9(7)16/h2,6,12H,1,3-5H2,(H2,17,18,19)(H3,11,13,14,16)