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

Systemtic Name: N-[9-[3,4-bis(oxidanyl)oxolan-2-yl]-2-chloranyl-purin-6-yl]-3-iodanyl-benzamide Openeye Name: N-[2-chloro-9-(3,4-dihydroxytetrahydrofuran-2-yl)purin-6-yl]-3-iodo-benzamide CAS Name: N-[2-chloro-9-(3,4-dihydroxy-2-oxolanyl)-6-purinyl]-3-iodobenzamide IUPAC Name: N-[2-chloro-9-(3,4-dihydroxyoxolan-2-yl)purin-6-yl]-3-iodobenzamide Traditional Name: N-[2-chloro-9-(3,4-dihydroxytetrahydrofuran-2-yl)purin-6-yl]-3-iodo-benzamide Formula: C16H13ClIN5O4 MolecularWeight: 501.66299

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC(=O)C4=CC(=CC=C4)I)Cl)O)O

Isomeric SMILES

C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC(=O)C4=CC(=CC=C4)I)Cl)O)O

InChI

InChI=1S/C16H13ClIN5O4/c17-16-21-12(20-14(26)7-2-1-3-8(18)4-7)10-13(22-16)23(6-19-10)15-11(25)9(24)5-27-15/h1-4,6,9,11,15,24-25H,5H2,(H,20,21,22,26)