N-[9-[3,4-bis(oxidanyl)oxolan-2-yl]-2-(methylamino)purin-6-yl]-3-iodanyl-benzamide

Systemtic Name: N-[9-[3,4-bis(oxidanyl)oxolan-2-yl]-2-(methylamino)purin-6-yl]-3-iodanyl-benzamide Openeye Name: N-[9-(3,4-dihydroxytetrahydrofuran-2-yl)-2-(methylamino)purin-6-yl]-3-iodo-benzamide CAS Name: N-[9-(3,4-dihydroxy-2-oxolanyl)-2-(methylamino)-6-purinyl]-3-iodobenzamide IUPAC Name: N-[9-(3,4-dihydroxyoxolan-2-yl)-2-(methylamino)purin-6-yl]-3-iodobenzamide Traditional Name: N-[9-(3,4-dihydroxytetrahydrofuran-2-yl)-2-(methylamino)purin-6-yl]-3-iodo-benzamide Formula: C17H17IN6O4 MolecularWeight: 496.25915

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=N1)NC(=O)C3=CC(=CC=C3)I)N=CN2C4C(C(CO4)O)O

Isomeric SMILES

CNC1=NC2=C(C(=N1)NC(=O)C3=CC(=CC=C3)I)N=CN2C4C(C(CO4)O)O

InChI

InChI=1S/C17H17IN6O4/c1-19-17-22-13(21-15(27)8-3-2-4-9(18)5-8)11-14(23-17)24(7-20-11)16-12(26)10(25)6-28-16/h2-5,7,10,12,16,25-26H,6H2,1H3,(H2,19,21,22,23,27)