2-[6-azanylidene-1-[(4-nitrophenyl)methyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol bromide

Systemtic Name: 2-[6-azanylidene-1-[(4-nitrophenyl)methyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol bromide Openeye Name: 2-(hydroxymethyl)-5-[6-imino-1-[(4-nitrophenyl)methyl]purin-9-yl]tetrahydrofuran-3,4-diol bromide CAS Name: 2-(hydroxymethyl)-5-[6-imino-1-[(4-nitrophenyl)methyl]-9-purinyl]oxolane-3,4-diol bromide IUPAC Name: 2-(hydroxymethyl)-5-[6-imino-1-[(4-nitrophenyl)methyl]purin-9-yl]oxolane-3,4-diol bromide Traditional Name: 2-[6-imino-1-(4-nitrobenzyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol bromide Formula: C17H18BrN6O6- MolecularWeight: 482.26542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=N)N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=N)N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H18N6O6.BrH/c18-15-12-16(22(8-19-12)17-14(26)13(25)11(6-24)29-17)20-7-21(15)5-9-1-3-10(4-2-9)23(27)28;/h1-4,7-8,11,13-14,17-18,24-26H,5-6H2;1H/p-1