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

Systemtic Name: [3,4-diacetyloxy-5-(6-azanyl-2-iodanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-(6-amino-2-iodo-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-(6-amino-2-iodo-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(6-amino-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-(6-amino-2-iodo-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H18IN5O7 MolecularWeight: 519.24789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18IN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)