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

Systemtic Name: [(2R,5S)-5-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]thiolan-2-yl]phosphonic acid Openeye Name: [(2R,5S)-5-[(2-amino-6-oxo-3H-purin-9-yl)methyl]tetrahydrothiophen-2-yl]phosphonic acid CAS Name: [(2R,5S)-5-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-thiolanyl]phosphonic acid IUPAC Name: [(2R,5S)-5-[(2-amino-6-oxo-3H-purin-9-yl)methyl]thiolan-2-yl]phosphonic acid Traditional Name: [(2R,5S)-5-[(2-amino-6-keto-3H-purin-9-yl)methyl]tetrahydrothiophen-2-yl]phosphonic acid Formula: C10H14N5O4PS MolecularWeight: 331.288021

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1CN2C=NC3=C2NC(=NC3=O)N)P(=O)(O)O

Isomeric SMILES

C1C[C@@H](S[C@@H]1CN2C=NC3=C2NC(=NC3=O)N)P(=O)(O)O

InChI

InChI=1S/C10H14N5O4PS/c11-10-13-8-7(9(16)14-10)12-4-15(8)3-5-1-2-6(21-5)20(17,18)19/h4-6H,1-3H2,(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1