(E)-4-(6-aminopurin-9-yl)-3-bromanyl-2-methyl-but-2-en-1-ol

Systemtic Name: (E)-4-(6-aminopurin-9-yl)-3-bromanyl-2-methyl-but-2-en-1-ol Openeye Name: (E)-4-(6-aminopurin-9-yl)-3-bromo-2-methyl-but-2-en-1-ol CAS Name: (E)-4-(6-aminopurin-9-yl)-3-bromo-2-methyl-2-buten-1-ol IUPAC Name: (E)-4-(6-aminopurin-9-yl)-3-bromo-2-methylbut-2-en-1-ol Traditional Name: (E)-4-adenin-9-yl-3-bromo-2-methyl-but-2-en-1-ol Formula: C10H12BrN5O MolecularWeight: 298.13918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CN1C=NC2=C1N=CN=C2N)Br)CO

Isomeric SMILES

C/C(=C(/CN1C=NC2=C1N=CN=C2N)\Br)/CO

InChI

InChI=1S/C10H12BrN5O/c1-6(3-17)7(11)2-16-5-15-8-9(12)13-4-14-10(8)16/h4-5,17H,2-3H2,1H3,(H2,12,13,14)/b7-6+