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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-piperonyl-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C16H13N3O3S2/c20-14(7-24-16-11-3-4-23-15(11)18-8-19-16)17-6-10-1-2-12-13(5-10)22-9-21-12/h1-5,8H,6-7,9H2,(H,17,20)