2-(6-azanylidene-1-phenylmethoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol bromide

Systemtic Name: 2-(6-azanylidene-1-phenylmethoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol bromide Openeye Name: 2-(1-benzyloxy-6-imino-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol bromide CAS Name: 2-(hydroxymethyl)-5-(6-imino-1-phenylmethoxy-9-purinyl)oxolane-3,4-diol bromide IUPAC Name: 2-(hydroxymethyl)-5-(6-imino-1-phenylmethoxypurin-9-yl)oxolane-3,4-diol bromide Traditional Name: 2-(1-benzoxy-6-imino-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol bromide Formula: C17H19BrN5O5- MolecularWeight: 453.26726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CON2C=NC3=C(C2=N)N=CN3C4C(C(C(O4)CO)O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CON2C=NC3=C(C2=N)N=CN3C4C(C(C(O4)CO)O)O.[Br-]

InChI

InChI=1S/C17H19N5O5.BrH/c18-15-12-16(20-9-22(15)26-7-10-4-2-1-3-5-10)21(8-19-12)17-14(25)13(24)11(6-23)27-17;/h1-5,8-9,11,13-14,17-18,23-25H,6-7H2;1H/p-1