disodium [(2S,3R,4R)-4-(4-azanylimidazo[4,5-d][1,2,3]triazin-7-yl)-2-(oxidanidylmethyl)-2-phosphonooxy-oxetan-3-yl]methanolate

Systemtic Name: disodium [(2S,3R,4R)-4-(4-azanylimidazo[4,5-d][1,2,3]triazin-7-yl)-2-(oxidanidylmethyl)-2-phosphonooxy-oxetan-3-yl]methanolate Openeye Name: disodium [(2S,3R,4R)-4-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(oxidomethyl)-2-phosphonooxy-oxetan-3-yl]methanolate CAS Name: disodium [(2S,3R,4R)-4-(4-amino-7-imidazo[4,5-d]triazinyl)-2-(oxidomethyl)-2-phosphonooxy-3-oxetanyl]methanolate IUPAC Name: disodium [(2S,3R,4R)-4-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(oxidomethyl)-2-phosphonooxyoxetan-3-yl]methanolate Traditional Name: disodium [(2S,3R,4R)-4-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(oxidomethyl)-2-phosphonooxy-oxetan-3-yl]methanolate Formula: C9H11N6Na2O7P MolecularWeight: 392.172941

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(O3)(C[O-])OP(=O)(O)O)C[O-])N=NN=C2N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@H]([C@@](O3)(C[O-])OP(=O)(O)O)C[O-])N=NN=C2N.[Na+].[Na+]

InChI

InChI=1S/C9H11N6O7P.2Na/c10-6-5-7(13-14-12-6)15(3-11-5)8-4(1-16)9(2-17,21-8)22-23(18,19)20;;/h3-4,8H,1-2H2,(H2,10,12,13)(H2,18,19,20);;/q-2;2*+1/t4-,8-,9-;;/m1../s1