1-[2-(6-aminopurin-9-yl)ethanoylamino]ethylphosphonic acid

Systemtic Name: 1-[2-(6-aminopurin-9-yl)ethanoylamino]ethylphosphonic acid Openeye Name: 1-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylphosphonic acid CAS Name: 1-[[2-(6-aminopurin-9-yl)-1-oxoethyl]amino]ethylphosphonic acid IUPAC Name: 1-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylphosphonic acid Traditional Name: 1-[(2-adenin-9-ylacetyl)amino]ethylphosphonic acid Formula: C9H13N6O4P MolecularWeight: 300.211081

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)CN1C=NC2=C1N=CN=C2N)P(=O)(O)O

Isomeric SMILES

CC(NC(=O)CN1C=NC2=C1N=CN=C2N)P(=O)(O)O

InChI

InChI=1S/C9H13N6O4P/c1-5(20(17,18)19)14-6(16)2-15-4-13-7-8(10)11-3-12-9(7)15/h3-5H,2H2,1H3,(H,14,16)(H2,10,11,12)(H2,17,18,19)