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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H17N3O3S/c1-10-5-11(2)19-16(18-10)23-8-15(20)17-7-12-3-4-13-14(6-12)22-9-21-13/h3-6H,7-9H2,1-2H3,(H,17,20)