2-azanyl-8-bromanyl-9-[3,4-diethanoyl-3,4-bis(oxidanyl)-5-(1-oxidanyl-2-oxidanylidene-propyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-bromanyl-9-[3,4-diethanoyl-3,4-bis(oxidanyl)-5-(1-oxidanyl-2-oxidanylidene-propyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-propyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-[3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-[3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-[3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-keto-propyl)tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C16H18BrN5O8 MolecularWeight: 488.24682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2Br)(C(=O)C)O)(C(=O)C)O)O

Isomeric SMILES

CC(=O)C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2Br)(C(=O)C)O)(C(=O)C)O)O

InChI

InChI=1S/C16H18BrN5O8/c1-4(23)8(26)9-15(28,5(2)24)16(29,6(3)25)12(30-9)22-10-7(19-13(22)17)11(27)21-14(18)20-10/h8-9,12,26,28-29H,1-3H3,(H3,18,20,21,27)