5-[6-(cyclohexylamino)-2-iodanyl-purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-[6-(cyclohexylamino)-2-iodanyl-purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-(cyclohexylamino)-2-iodo-purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-(cyclohexylamino)-2-iodo-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-(cyclohexylamino)-2-iodopurin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-(cyclohexylamino)-2-iodo-purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C18H25IN6O4 MolecularWeight: 516.33337

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC4CCCCC4)I)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC4CCCCC4)I)O)O

InChI

InChI=1S/C18H25IN6O4/c1-2-20-16(28)13-11(26)12(27)17(29-13)25-8-21-10-14(23-18(19)24-15(10)25)22-9-6-4-3-5-7-9/h8-9,11-13,17,26-27H,2-7H2,1H3,(H,20,28)(H,22,23,24)