2-(2-cyclopropyl-5-ethanoyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanamide

Systemtic Name: 2-(2-cyclopropyl-5-ethanoyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanamide Openeye Name: 2-(5-acetyl-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide CAS Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide IUPAC Name: 2-(5-acetyl-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide Traditional Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4)C(=O)C

InChI

InChI=1S/C22H25N3O4S/c1-12(16-6-7-17-18(10-16)29-9-8-28-17)23-19(27)11-30-22-20(14(3)26)13(2)24-21(25-22)15-4-5-15/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3,(H,23,27)