[2-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-oxolan-2-yl]-2-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-oxolan-2-yl]-2-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]-2-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-2-oxolanyl]-2-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-azidooxolan-2-yl]-2-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[5-(2-amino-6-keto-3H-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]-2-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C11H16N8O9P2 MolecularWeight: 466.240462

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)C(C(P(=O)(O)O)P(=O)(O)O)O)N=[N+]=[N-]

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)C(C(P(=O)(O)O)P(=O)(O)O)O)N=[N+]=[N-]

InChI

InChI=1S/C11H16N8O9P2/c12-11-15-8-5(9(21)16-11)14-2-19(8)4-1-3(17-18-13)7(28-4)6(20)10(29(22,23)24)30(25,26)27/h2-4,6-7,10,20H,1H2,(H2,22,23,24)(H2,25,26,27)(H3,12,15,16,21)