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

Systemtic Name: (2R,4R,5S)-2-(6-azanyl-2-iodanyl-purin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol Openeye Name: (2R,4R,5S)-2-(6-amino-2-iodo-purin-9-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,4R,5S)-2-(6-amino-2-iodo-9-purinyl)-5-[(methylthio)methyl]oxolane-3,4-diol IUPAC Name: (2R,4R,5S)-2-(6-amino-2-iodopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol Traditional Name: (2R,4R,5S)-2-(6-amino-2-iodo-purin-9-yl)-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol Formula: C11H14IN5O3S MolecularWeight: 423.23003

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)I)O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H14IN5O3S/c1-21-2-4-6(18)7(19)10(20-4)17-3-14-5-8(13)15-11(12)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16)/t4-,6+,7?,10-/m1/s1