[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl] phosphono hydrogen phosphate

Systemtic Name: [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl] phosphono hydrogen phosphate Openeye Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl] phosphono hydrogen phosphate CAS Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-phosphonooxy-2-oxolanyl] phosphono hydrogen phosphate IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl] phosphono hydrogen phosphate Traditional Name: [(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl] phosphono hydrogen phosphate Formula: C9H14N5O14P3 MolecularWeight: 509.153843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=NC2=C(N1[C@H]3C([C@@H]([C@H](O3)OP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H14N5O14P3/c10-9-12-5-2(6(16)13-9)11-1-14(5)7-4(26-29(17,18)19)3(15)8(25-7)27-31(23,24)28-30(20,21)22/h1,3-4,7-8,15H,(H,23,24)(H2,17,18,19)(H2,20,21,22)(H3,10,12,13,16)/t3-,4?,7+,8+/m0/s1