2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]acetamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C#N

InChI

InChI=1S/C18H16N4O4S/c1-9-13(6-19)18(21-11(3)20-9)27-7-17(24)22-14-5-16-15(25-8-26-16)4-12(14)10(2)23/h4-5H,7-8H2,1-3H3,(H,22,24)