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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[5-acetyl-2-(2-furanyl)-6-methyl-4-pyrimidinyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[5-acetyl-2-(furan-2-yl)-6-methylpyrimidin-4-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C(=O)C

InChI

InChI=1S/C21H19N3O5S/c1-12-19(13(2)25)21(24-20(22-12)16-4-3-7-27-16)30-11-18(26)23-14-5-6-15-17(10-14)29-9-8-28-15/h3-7,10H,8-9,11H2,1-2H3,(H,23,26)