4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine Openeye Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine CAS Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-2,6-dimethylpyrimidine IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-2,6-dimethylpyrimidine Traditional Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-2,6-dimethyl-pyrimidine Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C16H17ClN2O2S/c1-10-6-15(19-11(2)18-10)22-9-12-7-13(17)16-14(8-12)20-4-3-5-21-16/h6-8H,3-5,9H2,1-2H3