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

Systemtic Name: (2R,4R,5S)-2-(6-azanyl-2-iodanyl-purin-9-yl)-5-(propylsulfanylmethyl)oxolane-3,4-diol Openeye Name: (2R,4R,5S)-2-(6-amino-2-iodo-purin-9-yl)-5-(propylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,4R,5S)-2-(6-amino-2-iodo-9-purinyl)-5-[(propylthio)methyl]oxolane-3,4-diol IUPAC Name: (2R,4R,5S)-2-(6-amino-2-iodopurin-9-yl)-5-(propylsulfanylmethyl)oxolane-3,4-diol Traditional Name: (2R,4R,5S)-2-(6-amino-2-iodo-purin-9-yl)-5-[(propylthio)methyl]tetrahydrofuran-3,4-diol Formula: C13H18IN5O3S MolecularWeight: 451.28319

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)I)O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H18IN5O3S/c1-2-3-23-4-6-8(20)9(21)12(22-6)19-5-16-7-10(15)17-13(14)18-11(7)19/h5-6,8-9,12,20-21H,2-4H2,1H3,(H2,15,17,18)/t6-,8+,9?,12-/m1/s1