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

Systemtic Name: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-2-isopropyl-6-methyl-pyrimidine Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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