[4-[[2-azanyl-6-(5-bromanyl-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]boronic acid

Systemtic Name: [4-[[2-azanyl-6-(5-bromanyl-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]boronic acid Openeye Name: [4-[[2-amino-6-(5-bromo-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]boronic acid CAS Name: [4-[[2-amino-6-(5-bromo-2-methylphenyl)-4-pyrimidinyl]amino]phenyl]boronic acid IUPAC Name: [4-[[2-amino-6-(5-bromo-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]boronic acid Traditional Name: [4-[[2-amino-6-(5-bromo-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]boronic acid Formula: C17H16BBrN4O2 MolecularWeight: 399.04954

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)NC2=NC(=NC(=C2)C3=C(C=CC(=C3)Br)C)N)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)NC2=NC(=NC(=C2)C3=C(C=CC(=C3)Br)C)N)(O)O

InChI

InChI=1S/C17H16BBrN4O2/c1-10-2-5-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-3-11(4-7-13)18(24)25/h2-9,24-25H,1H3,(H3,20,21,22,23)