2-[2-(2-chloranylphenoxy)ethylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(2-chloranylphenoxy)ethylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-(2-chlorophenoxy)ethylsulfanyl]-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-(2-chlorophenoxy)ethylthio]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2-chlorophenoxy)ethylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-[2-(2-chlorophenoxy)ethylthio]-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C18H23ClN2O2S MolecularWeight: 366.90542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCOC2=CC=CC=C2Cl)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCOC2=CC=CC=C2Cl)CCC(C)C

InChI

InChI=1S/C18H23ClN2O2S/c1-12(2)8-9-14-13(3)20-18(21-17(14)22)24-11-10-23-16-7-5-4-6-15(16)19/h4-7,12H,8-11H2,1-3H3,(H,20,21,22)