1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)but-3-en-2-yloxymethylphosphonic acid

Systemtic Name: 1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)but-3-en-2-yloxymethylphosphonic acid Openeye Name: 1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]allyloxymethylphosphonic acid CAS Name: 1-(2-amino-6-oxo-3H-purin-9-yl)but-3-en-2-yloxymethylphosphonic acid IUPAC Name: 1-(2-amino-6-oxo-3H-purin-9-yl)but-3-en-2-yloxymethylphosphonic acid Traditional Name: 1-[(2-amino-6-keto-3H-purin-9-yl)methyl]allyloxymethylphosphonic acid Formula: C10H14N5O5P MolecularWeight: 315.222421

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CN1C=NC2=C1NC(=NC2=O)N)OCP(=O)(O)O

Isomeric SMILES

C=CC(CN1C=NC2=C1NC(=NC2=O)N)OCP(=O)(O)O

InChI

InChI=1S/C10H14N5O5P/c1-2-6(20-5-21(17,18)19)3-15-4-12-7-8(15)13-10(11)14-9(7)16/h2,4,6H,1,3,5H2,(H2,17,18,19)(H3,11,13,14,16)