2-[6-azanylidene-1-(phenylmethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol hydrobromide

Systemtic Name: 2-[6-azanylidene-1-(phenylmethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol hydrobromide Openeye Name: 2-(1-benzyl-6-imino-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol hydrobromide CAS Name: 2-(hydroxymethyl)-5-[6-imino-1-(phenylmethyl)-9-purinyl]oxolane-3,4-diol hydrobromide IUPAC Name: 2-(1-benzyl-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol hydrobromide Traditional Name: 2-(1-benzyl-6-imino-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol hydrobromide Formula: C17H20BrN5O4 MolecularWeight: 438.2758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(C2=N)N=CN3C4C(C(C(O4)CO)O)O.Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(C2=N)N=CN3C4C(C(C(O4)CO)O)O.Br

InChI

InChI=1S/C17H19N5O4.BrH/c18-15-12-16(20-8-21(15)6-10-4-2-1-3-5-10)22(9-19-12)17-14(25)13(24)11(7-23)26-17;/h1-5,8-9,11,13-14,17-18,23-25H,6-7H2;1H