3-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCN2C3=CC=CC=C3NC2=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCN2C3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C16H18N4OS/c1-11-10-12(2)18-15(17-11)22-9-5-8-20-14-7-4-3-6-13(14)19-16(20)21/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,21)