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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(5-ethanoyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: 2-(5-acetyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(5-acetyl-2-ethyl-6-methyl-4-pyrimidinyl)thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(5-acetyl-2-ethyl-6-methyl-pyrimidin-4-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C)C

InChI

InChI=1S/C18H19N3O4S/c1-4-15-19-10(2)17(11(3)22)18(21-15)26-8-16(23)20-12-5-6-13-14(7-12)25-9-24-13/h5-7H,4,8-9H2,1-3H3,(H,20,23)