[3,4-diacetyloxy-5-(6-azanyl-8-bromanyl-2-iodanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-(6-azanyl-8-bromanyl-2-iodanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-(6-amino-8-bromo-2-iodo-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-(6-amino-8-bromo-2-iodo-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(6-amino-8-bromo-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-(6-amino-8-bromo-2-iodo-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H17BrIN5O7 MolecularWeight: 598.14395

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC(=N3)I)N)N=C2Br)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC(=N3)I)N)N=C2Br)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H17BrIN5O7/c1-5(24)27-4-8-10(28-6(2)25)11(29-7(3)26)14(30-8)23-13-9(20-15(23)17)12(19)21-16(18)22-13/h8,10-11,14H,4H2,1-3H3,(H2,19,21,22)