2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1,4,5,6-tetrahydropyrimidine Formula: C13H15ClN2O2S MolecularWeight: 298.7884

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

C1CNC(=NC1)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C13H15ClN2O2S/c14-11-4-9-6-17-8-18-12(9)10(5-11)7-19-13-15-2-1-3-16-13/h4-5H,1-3,6-8H2,(H,15,16)