[2-[(6-aminopurin-9-yl)amino]-2-oxidanylidene-ethoxy]methylphosphonic acid

Systemtic Name: [2-[(6-aminopurin-9-yl)amino]-2-oxidanylidene-ethoxy]methylphosphonic acid Openeye Name: [2-[(6-aminopurin-9-yl)amino]-2-oxo-ethoxy]methylphosphonic acid CAS Name: [2-[(6-aminopurin-9-yl)amino]-2-oxoethoxy]methylphosphonic acid IUPAC Name: [2-[(6-aminopurin-9-yl)amino]-2-oxoethoxy]methylphosphonic acid Traditional Name: [2-(adenin-9-ylamino)-2-keto-ethoxy]methylphosphonic acid Formula: C8H11N6O5P MolecularWeight: 302.183901

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2NC(=O)COCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2NC(=O)COCP(=O)(O)O

InChI

InChI=1S/C8H11N6O5P/c9-7-6-8(11-2-10-7)14(3-12-6)13-5(15)1-19-4-20(16,17)18/h2-3H,1,4H2,(H,13,15)(H2,9,10,11)(H2,16,17,18)