[5-(6-azanyl-8-azido-purin-9-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(6-azanyl-8-azido-purin-9-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(6-amino-8-azido-purin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(6-amino-8-azido-9-purinyl)-4-hydroxy-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-amino-8-azidopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(6-amino-8-azido-purin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H14N8O10P2 MolecularWeight: 468.213282

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N=[N+]=[N-]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N=[N+]=[N-]

InChI

InChI=1S/C10H14N8O10P2/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-5(19)6(28-30(23,24)25)3(27-9)1-26-29(20,21)22/h2-3,5-6,9,19H,1H2,(H2,11,13,14)(H2,20,21,22)(H2,23,24,25)