2-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-(2-iodanylethynyl)isoquinolin-1-one

Systemtic Name: 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-(2-iodanylethynyl)isoquinolin-1-one Openeye Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(2-iodoethynyl)isoquinolin-1-one CAS Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(2-iodoethynyl)-1-isoquinolinone IUPAC Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(2-iodoethynyl)isoquinolin-1-one Traditional Name: 2-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-4-(2-iodoethynyl)isocarbostyril Formula: C16H14INO4 MolecularWeight: 411.19113

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C3=CC=CC=C3C2=O)C#CI)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C3=CC=CC=C3C2=O)C#CI)CO)O

InChI

InChI=1S/C16H14INO4/c17-6-5-10-8-18(15-7-13(20)14(9-19)22-15)16(21)12-4-2-1-3-11(10)12/h1-4,8,13-15,19-20H,7,9H2/t13-,14+,15+/m0/s1