2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,6-dimethyl-pyrimidine Formula: C14H13ClN2O2S MolecularWeight: 308.78322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC3=C(C=C2Cl)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC3=C(C=C2Cl)OCO3)C

InChI

InChI=1S/C14H13ClN2O2S/c1-8-3-9(2)17-14(16-8)20-6-10-4-12-13(5-11(10)15)19-7-18-12/h3-5H,6-7H2,1-2H3