[5-[2,6-bis(azanyl)purin-9-yl]-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid

Systemtic Name: [5-[2,6-bis(azanyl)purin-9-yl]-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid Openeye Name: [5-(2,6-diaminopurin-9-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid CAS Name: [5-(2,6-diamino-9-purinyl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid IUPAC Name: [5-(2,6-diaminopurin-9-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid Traditional Name: [5-(2,6-diaminopurin-9-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid Formula: C10H13N6O5P MolecularWeight: 328.221181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(OC1N2C=NC3=C2N=C(N=C3N)N)OCP(=O)(O)O

Isomeric SMILES

C1=CC(OC1N2C=NC3=C2N=C(N=C3N)N)OCP(=O)(O)O

InChI

InChI=1S/C10H13N6O5P/c11-8-7-9(15-10(12)14-8)16(3-13-7)5-1-2-6(21-5)20-4-22(17,18)19/h1-3,5-6H,4H2,(H2,17,18,19)(H4,11,12,14,15)