[(2S,5S)-5-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid

Systemtic Name: [(2S,5S)-5-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid Openeye Name: [(2S,5S)-5-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid CAS Name: [(2S,5S)-5-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid IUPAC Name: [(2S,5S)-5-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid Traditional Name: [(2S,5S)-5-[(2-amino-6-keto-3H-purin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid Formula: C9H12N5O5PS MolecularWeight: 333.260841

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)P(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1[C@@H](O[C@H](S1)P(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C9H12N5O5PS/c10-8-12-6-5(7(15)13-8)11-3-14(6)1-4-2-21-9(19-4)20(16,17)18/h3-4,9H,1-2H2,(H2,16,17,18)(H3,10,12,13,15)/t4-,9-/m0/s1