N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C17H13N3O4S2 MolecularWeight: 387.43282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=NC4=C3C=CS4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=NC4=C3C=CS4)OCO2

InChI

InChI=1S/C17H13N3O4S2/c1-9(21)11-4-13-14(24-8-23-13)5-12(11)20-15(22)6-26-17-10-2-3-25-16(10)18-7-19-17/h2-5,7H,6,8H2,1H3,(H,20,22)