N-dimethyl-N-[(E)-5-(2-methylsulfanyloxypyrimidin-5-yl)pent-4-en-2-yl]boronamidic acid

Systemtic Name: N-dimethyl-N-[(E)-5-(2-methylsulfanyloxypyrimidin-5-yl)pent-4-en-2-yl]boronamidic acid Openeye Name: N-dimethyl-N-[(E)-1-methyl-4-(2-methylsulfanyloxypyrimidin-5-yl)but-3-enyl]boronamidic acid CAS Name: N-dimethyl-N-[(E)-5-[2-(methylthio)oxy-5-pyrimidinyl]pent-4-en-2-yl]boronamidic acid IUPAC Name: N-dimethyl-N-[(E)-5-(2-methylsulfanyloxypyrimidin-5-yl)pent-4-en-2-yl]boronamidic acid Traditional Name: N-dimethyl-N-[(E)-1-methyl-4-[2-(methylthio)oxypyrimidin-5-yl]but-3-enyl]boronamidic acid Formula: C12H20BN3O2S MolecularWeight: 281.1821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(N(C)C(C)CC=CC1=CN=C(N=C1)OSC)O

Isomeric SMILES

B(C)(N(C)C(C)C/C=C/C1=CN=C(N=C1)OSC)O

InChI

InChI=1S/C12H20BN3O2S/c1-10(16(3)13(2)17)6-5-7-11-8-14-12(15-9-11)18-19-4/h5,7-10,17H,6H2,1-4H3/b7-5+