N-(4-isocyano-2-oxidanylidene-pyrimidin-1-yl)-methyl-boronamidic acid

Systemtic Name: N-(4-isocyano-2-oxidanylidene-pyrimidin-1-yl)-methyl-boronamidic acid Openeye Name: N-(4-isocyano-2-oxo-pyrimidin-1-yl)-methyl-boronamidic acid CAS Name: N-(4-isocyano-2-oxo-1-pyrimidinyl)-methylboronamidic acid IUPAC Name: N-(4-isocyano-2-oxopyrimidin-1-yl)-methylboronamidic acid Traditional Name: N-(4-isocyano-2-keto-pyrimidin-1-yl)-methyl-boronamidic acid Formula: C6H7BN4O2 MolecularWeight: 177.95638

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NN1C=CC(=NC1=O)[N+]#[C-])O

Isomeric SMILES

B(C)(NN1C=CC(=NC1=O)[N+]#[C-])O

InChI

InChI=1S/C6H7BN4O2/c1-7(13)10-11-4-3-5(8-2)9-6(11)12/h3-4,10,13H,1H3