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

Systemtic Name: [(2R,3S,5R)-3-azanyl-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl] phosphono hydrogen phosphate Openeye Name: [(2R,3S,5R)-3-amino-5-(2-amino-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl] phosphono hydrogen phosphate CAS Name: [(2R,3S,5R)-3-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-2-oxolanyl] phosphono hydrogen phosphate IUPAC Name: [(2R,3S,5R)-3-amino-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl] phosphono hydrogen phosphate Traditional Name: [(2R,3S,5R)-3-amino-5-(2-amino-6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl] phosphono hydrogen phosphate Formula: C9H14N6O9P2 MolecularWeight: 412.189782

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)OP(=O)(O)OP(=O)(O)O)N

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)OP(=O)(O)OP(=O)(O)O)N

InChI

InChI=1S/C9H14N6O9P2/c10-3-1-4(22-8(3)23-26(20,21)24-25(17,18)19)15-2-12-5-6(15)13-9(11)14-7(5)16/h2-4,8H,1,10H2,(H,20,21)(H2,17,18,19)(H3,11,13,14,16)/t3-,4+,8+/m0/s1