N-[1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3-iodanyl-pyrazolo[3,4-d]pyrimidin-4-yl]benzamide

Systemtic Name: N-[1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3-iodanyl-pyrazolo[3,4-d]pyrimidin-4-yl]benzamide Openeye Name: N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-iodo-pyrazolo[3,4-d]pyrimidin-4-yl]benzamide CAS Name: N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-iodo-4-pyrazolo[3,4-d]pyrimidinyl]benzamide IUPAC Name: N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodopyrazolo[3,4-d]pyrimidin-4-yl]benzamide Traditional Name: N-[1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3-iodo-pyrazolo[3,4-d]pyrimidin-4-yl]benzamide Formula: C17H16IN5O4 MolecularWeight: 481.24451

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C3=C(C(=NC=N3)NC(=O)C4=CC=CC=C4)C(=N2)I)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=NC=N3)NC(=O)C4=CC=CC=C4)C(=N2)I)CO)O

InChI

InChI=1S/C17H16IN5O4/c18-14-13-15(21-17(26)9-4-2-1-3-5-9)19-8-20-16(13)23(22-14)12-6-10(25)11(7-24)27-12/h1-5,8,10-12,24-25H,6-7H2,(H,19,20,21,26)/t10-,11+,12+/m0/s1