N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]acetamide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H15N3O3S/c1-9-5-15(17-10(2)16-9)22-7-14(19)18-11-3-4-12-13(6-11)21-8-20-12/h3-6H,7-8H2,1-2H3,(H,18,19)