[5-(6-azanyl-2-iodanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-(6-azanyl-2-iodanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanoate Openeye Name: [5-(6-amino-2-iodo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(6-amino-2-iodo-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-amino-2-iodopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(6-amino-2-iodo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C12H14IN5O5 MolecularWeight: 435.17453

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)I)O)O

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)I)O)O

InChI

InChI=1S/C12H14IN5O5/c1-4(19)22-2-5-7(20)8(21)11(23-5)18-3-15-6-9(14)16-12(13)17-10(6)18/h3,5,7-8,11,20-21H,2H2,1H3,(H2,14,16,17)