2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[(2,6-dimethyl-4-pyrimidinyl)thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[(2,6-dimethylpyrimidin-4-yl)thio]methyl]-1,3-benzoxazole Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C14H13N3OS/c1-9-7-14(16-10(2)15-9)19-8-13-17-11-5-3-4-6-12(11)18-13/h3-7H,8H2,1-2H3