[(2R,3S,5S)-5-(2-azanyl-6-iodanyl-purin-9-yl)-2-(hydroxymethyl)oxan-3-yl] ethanoate

Systemtic Name: [(2R,3S,5S)-5-(2-azanyl-6-iodanyl-purin-9-yl)-2-(hydroxymethyl)oxan-3-yl] ethanoate Openeye Name: [(2R,3S,5S)-5-(2-amino-6-iodo-purin-9-yl)-2-(hydroxymethyl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3S,5S)-5-(2-amino-6-iodo-9-purinyl)-2-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3S,5S)-5-(2-amino-6-iodopurin-9-yl)-2-(hydroxymethyl)oxan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,5S)-5-(2-amino-6-iodo-purin-9-yl)-2-methylol-tetrahydropyran-3-yl] ester Formula: C13H16IN5O4 MolecularWeight: 433.20171

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(COC1CO)N2C=NC3=C2N=C(N=C3I)N

Isomeric SMILES

CC(=O)O[C@H]1C[C@@H](CO[C@@H]1CO)N2C=NC3=C2N=C(N=C3I)N

InChI

InChI=1S/C13H16IN5O4/c1-6(21)23-8-2-7(4-22-9(8)3-20)19-5-16-10-11(14)17-13(15)18-12(10)19/h5,7-9,20H,2-4H2,1H3,(H2,15,17,18)/t7-,8-,9+/m0/s1