[4-methoxy-2-(phenylmethylsulfanyl)pyrimidin-5-yl]boronic acid

Systemtic Name: [4-methoxy-2-(phenylmethylsulfanyl)pyrimidin-5-yl]boronic acid Openeye Name: (2-benzylsulfanyl-4-methoxy-pyrimidin-5-yl)boronic acid CAS Name: [4-methoxy-2-(phenylmethylthio)-5-pyrimidinyl]boronic acid IUPAC Name: (2-benzylsulfanyl-4-methoxypyrimidin-5-yl)boronic acid Traditional Name: [2-(benzylthio)-4-methoxy-pyrimidin-5-yl]boronic acid Formula: C12H13BN2O3S MolecularWeight: 276.11922

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CN=C(N=C1OC)SCC2=CC=CC=C2)(O)O

Isomeric SMILES

B(C1=CN=C(N=C1OC)SCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C12H13BN2O3S/c1-18-11-10(13(16)17)7-14-12(15-11)19-8-9-5-3-2-4-6-9/h2-7,16-17H,8H2,1H3