[2-[1-(6-azanyl-8-azido-purin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl] dihydrogen phosphate

Systemtic Name: [2-[1-(6-azanyl-8-azido-purin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl] dihydrogen phosphate Openeye Name: [2-[1-(6-amino-8-azido-purin-9-yl)-2-oxo-ethoxy]-3-oxo-propyl] dihydrogen phosphate CAS Name: [2-[1-(6-amino-8-azido-9-purinyl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate IUPAC Name: [2-[1-(6-amino-8-azidopurin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate Traditional Name: [2-[1-(6-amino-8-azido-purin-9-yl)-2-keto-ethoxy]-3-keto-propyl] dihydrogen phosphate Formula: C10H11N8O7P MolecularWeight: 386.217501

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=C(N2C(C=O)OC(COP(=O)(O)O)C=O)N=[N+]=[N-]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=C(N2C(C=O)OC(COP(=O)(O)O)C=O)N=[N+]=[N-]

InChI

InChI=1S/C10H11N8O7P/c11-8-7-9(14-4-13-8)18(10(15-7)16-17-12)6(2-20)25-5(1-19)3-24-26(21,22)23/h1-2,4-6H,3H2,(H2,11,13,14)(H2,21,22,23)