[4-[(6-aminopurin-9-yl)methyl]phenyl]boronic acid

Systemtic Name: [4-[(6-aminopurin-9-yl)methyl]phenyl]boronic acid Openeye Name: [4-[(6-aminopurin-9-yl)methyl]phenyl]boronic acid CAS Name: [4-[(6-aminopurin-9-yl)methyl]phenyl]boronic acid IUPAC Name: [4-[(6-aminopurin-9-yl)methyl]phenyl]boronic acid Traditional Name: [4-(adenin-9-ylmethyl)phenyl]boronic acid Formula: C12H12BN5O2 MolecularWeight: 269.06698

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N)(O)O

InChI

InChI=1S/C12H12BN5O2/c14-11-10-12(16-6-15-11)18(7-17-10)5-8-1-3-9(4-2-8)13(19)20/h1-4,6-7,19-20H,5H2,(H2,14,15,16)