(2R,4R,5S)-2-(6-azanyl-2-iodanyl-purin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol

Systemtic Name: (2R,4R,5S)-2-(6-azanyl-2-iodanyl-purin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol Openeye Name: (2R,4R,5S)-2-(6-amino-2-iodo-purin-9-yl)-5-(ethylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,4R,5S)-2-(6-amino-2-iodo-9-purinyl)-5-[(ethylthio)methyl]oxolane-3,4-diol IUPAC Name: (2R,4R,5S)-2-(6-amino-2-iodopurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol Traditional Name: (2R,4R,5S)-2-(6-amino-2-iodo-purin-9-yl)-5-[(ethylthio)methyl]tetrahydrofuran-3,4-diol Formula: C12H16IN5O3S MolecularWeight: 437.25661

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)I)O)O

Isomeric SMILES

CCSC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=C(N=C3N)I)O)O

InChI

InChI=1S/C12H16IN5O3S/c1-2-22-3-5-7(19)8(20)11(21-5)18-4-15-6-9(14)16-12(13)17-10(6)18/h4-5,7-8,11,19-20H,2-3H2,1H3,(H2,14,16,17)/t5-,7+,8?,11-/m1/s1