N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(2-pyrimidylthio)acetamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H17N3O3S/c1-19(15(20)11-23-16-17-7-4-8-18-16)9-12-10-21-13-5-2-3-6-14(13)22-12/h2-8,12H,9-11H2,1H3/t12-/m0/s1