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

Systemtic Name: [5-(6-azanyl-8-bromanyl-2-iodanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanoate Openeye Name: [5-(6-amino-8-bromo-2-iodo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(6-amino-8-bromo-2-iodo-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-amino-8-bromo-2-iodopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(6-amino-8-bromo-2-iodo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C12H13BrIN5O5 MolecularWeight: 514.07059

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrIN5O5/c1-3(20)23-2-4-6(21)7(22)10(24-4)19-9-5(16-11(19)13)8(15)17-12(14)18-9/h4,6-7,10,21-22H,2H2,1H3,(H2,15,17,18)