(E)-3-[(6-aminopurin-9-yl)methyl]-4-bromanyl-but-3-en-1-ol

Systemtic Name: (E)-3-[(6-aminopurin-9-yl)methyl]-4-bromanyl-but-3-en-1-ol Openeye Name: (E)-3-[(6-aminopurin-9-yl)methyl]-4-bromo-but-3-en-1-ol CAS Name: (E)-3-[(6-aminopurin-9-yl)methyl]-4-bromo-3-buten-1-ol IUPAC Name: (E)-3-[(6-aminopurin-9-yl)methyl]-4-bromobut-3-en-1-ol Traditional Name: (E)-3-(adenin-9-ylmethyl)-4-bromo-but-3-en-1-ol Formula: C10H12BrN5O MolecularWeight: 298.13918

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(=CBr)CCO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C/C(=C/Br)/CCO

InChI

InChI=1S/C10H12BrN5O/c11-3-7(1-2-17)4-16-6-15-8-9(12)13-5-14-10(8)16/h3,5-6,17H,1-2,4H2,(H2,12,13,14)/b7-3+