2-[(6-aminopurin-9-yl)amino]prop-2-enoxymethylphosphonic acid

Systemtic Name: 2-[(6-aminopurin-9-yl)amino]prop-2-enoxymethylphosphonic acid Openeye Name: 2-[(6-aminopurin-9-yl)amino]allyloxymethylphosphonic acid CAS Name: 2-[(6-aminopurin-9-yl)amino]prop-2-enoxymethylphosphonic acid IUPAC Name: 2-[(6-aminopurin-9-yl)amino]prop-2-enoxymethylphosphonic acid Traditional Name: 2-(adenin-9-ylamino)allyloxymethylphosphonic acid Formula: C9H13N6O4P MolecularWeight: 300.211081

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Descriptors Computed from Structure

Canonical SMILES:

C=C(COCP(=O)(O)O)NN1C=NC2=C1N=CN=C2N

Isomeric SMILES

C=C(COCP(=O)(O)O)NN1C=NC2=C1N=CN=C2N

InChI

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