N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-pyrimidylthio)acetamide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C15H15N3O3S/c19-14(10-22-15-16-6-3-7-17-15)18-8-11-9-20-12-4-1-2-5-13(12)21-11/h1-7,11H,8-10H2,(H,18,19)