N-ethyl-5-[2-iodanyl-6-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: N-ethyl-5-[2-iodanyl-6-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-[(1-benzyl-2-hydroxy-ethyl)amino]-2-iodo-purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: N-ethyl-3,4-dihydroxy-5-[6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-iodo-9-purinyl]-2-oxolanecarboxamide IUPAC Name: N-ethyl-3,4-dihydroxy-5-[6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-iodopurin-9-yl]oxolane-2-carboxamide Traditional Name: 5-[6-[(1-benzyl-2-hydroxy-ethyl)amino]-2-iodo-purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C21H25IN6O5 MolecularWeight: 568.36487

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC(CC4=CC=CC=C4)CO)I)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC(CC4=CC=CC=C4)CO)I)O)O

InChI

InChI=1S/C21H25IN6O5/c1-2-23-19(32)16-14(30)15(31)20(33-16)28-10-24-13-17(26-21(22)27-18(13)28)25-12(9-29)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,29-31H,2,8-9H2,1H3,(H,23,32)(H,25,26,27)