(2S,3R,5R)-5-(6-azanyl-2-iodanyl-purin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3R,5R)-5-(6-azanyl-2-iodanyl-purin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3R,5R)-5-(6-amino-2-iodo-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,3R,5R)-5-(6-amino-2-iodo-9-purinyl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: (2S,3R,5R)-5-(6-amino-2-iodopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: (2S,3R,5R)-5-(6-amino-2-iodo-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C12H15IN6O4 MolecularWeight: 434.18977

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)I)O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15IN6O4/c1-2-15-10(22)7-5(20)6(21)11(23-7)19-3-16-4-8(14)17-12(13)18-9(4)19/h3,5-7,11,20-21H,2H2,1H3,(H,15,22)(H2,14,17,18)/t5-,6?,7+,11-/m1/s1