[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-2-(trioxidanylmethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-2-(trioxidanylmethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(trioxidanylmethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(trioxidanylmethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(trioxidanylmethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-2-(trioxidanylmethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H14N5O10P MolecularWeight: 395.219421

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COOO)OP(=O)(O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)COOO)OP(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H14N5O10P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(24-26(19,20)21)3(23-9)1-22-25-18/h2-3,5-6,9,16,18H,1H2,(H2,19,20,21)(H3,11,13,14,17)