N-(1,3-benzodioxol-5-ylmethyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-piperonyl-2-(2-pyrimidylthio)acetamide Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C14H13N3O3S/c18-13(8-21-14-15-4-1-5-16-14)17-7-10-2-3-11-12(6-10)20-9-19-11/h1-6H,7-9H2,(H,17,18)