4-(6-chloranylpurin-9-yl)butylboronic acid

Systemtic Name: 4-(6-chloranylpurin-9-yl)butylboronic acid Openeye Name: 4-(6-chloropurin-9-yl)butylboronic acid CAS Name: 4-(6-chloro-9-purinyl)butylboronic acid IUPAC Name: 4-(6-chloropurin-9-yl)butylboronic acid Traditional Name: 4-(6-chloropurin-9-yl)butylboronic acid Formula: C9H12BClN4O2 MolecularWeight: 254.48118

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCCN1C=NC2=C1N=CN=C2Cl)(O)O

Isomeric SMILES

B(CCCCN1C=NC2=C1N=CN=C2Cl)(O)O

InChI

InChI=1S/C9H12BClN4O2/c11-8-7-9(13-5-12-8)15(6-14-7)4-2-1-3-10(16)17/h5-6,16-17H,1-4H2