(2S,3R,4R,5R)-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-4-fluoranyl-N-methyl-3-oxidanyl-oxolane-2-carboxamide

Systemtic Name: (2S,3R,4R,5R)-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-4-fluoranyl-N-methyl-3-oxidanyl-oxolane-2-carboxamide Openeye Name: (2S,3R,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-4-fluoro-3-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,3R,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-4-fluoro-3-hydroxy-N-methyl-2-oxolanecarboxamide IUPAC Name: (2S,3R,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-4-fluoro-3-hydroxy-N-methyloxolane-2-carboxamide Traditional Name: (2S,3R,4R,5R)-5-[2-chloro-6-[(3-iodobenzyl)amino]purin-9-yl]-4-fluoro-3-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide Formula: C18H17ClFIN6O3 MolecularWeight: 546.721853

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl)F)O

Isomeric SMILES

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl)F)O

InChI

InChI=1S/C18H17ClFIN6O3/c1-22-16(29)13-12(28)10(20)17(30-13)27-7-24-11-14(25-18(19)26-15(11)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,10,12-13,17,28H,6H2,1H3,(H,22,29)(H,23,25,26)/t10-,12+,13+,17-/m1/s1