2-[3-(4-chloranyl-3-ethyl-phenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-(4-chloranyl-3-ethyl-phenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[3-(4-chloro-3-ethyl-phenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[3-(4-chloro-3-ethylphenoxy)propylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[3-(4-chloro-3-ethylphenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[3-(4-chloro-3-ethyl-phenoxy)propylthio]-6-methyl-1H-pyrimidin-4-one Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCCSC2=NC(=O)C=C(N2)C)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCCSC2=NC(=O)C=C(N2)C)Cl

InChI

InChI=1S/C16H19ClN2O2S/c1-3-12-10-13(5-6-14(12)17)21-7-4-8-22-16-18-11(2)9-15(20)19-16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,20)