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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC2=C3C(=CC(=C2)Cl)COCO3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC2=C3C(=CC(=C2)Cl)COCO3)C

InChI

InChI=1S/C16H17ClN2O2S/c1-9-10(2)18-16(19-11(9)3)22-7-13-5-14(17)4-12-6-20-8-21-15(12)13/h4-5H,6-8H2,1-3H3