2-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfanyl)phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfanyl)phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfanyl)phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylthio)phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfanyl)phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylthio)phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC=CC=C2SCC3=C4C(=CC=C3)OCCO4

Isomeric SMILES

C1CNC(=NC1)C2=CC=CC=C2SCC3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C19H20N2O2S/c1-2-8-17(15(6-1)19-20-9-4-10-21-19)24-13-14-5-3-7-16-18(14)23-12-11-22-16/h1-3,5-8H,4,9-13H2,(H,20,21)