S-(4,6-dimethylpyrimidin-2-yl) N-butylcarbamothioate

Systemtic Name: S-(4,6-dimethylpyrimidin-2-yl) N-butylcarbamothioate Openeye Name: S-(4,6-dimethylpyrimidin-2-yl) N-butylcarbamothioate CAS Name: N-butylcarbamothioic acid S-[(4,6-dimethyl-2-pyrimidinyl)] ester IUPAC Name: S-(4,6-dimethylpyrimidin-2-yl) N-butylcarbamothioate Traditional Name: N-butylthiocarbamic acid S-(4,6-dimethylpyrimidin-2-yl) ester Formula: C11H17N3OS MolecularWeight: 239.33718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)SC1=NC(=CC(=N1)C)C

Isomeric SMILES

CCCCNC(=O)SC1=NC(=CC(=N1)C)C

InChI

InChI=1S/C11H17N3OS/c1-4-5-6-12-11(15)16-10-13-8(2)7-9(3)14-10/h7H,4-6H2,1-3H3,(H,12,15)