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

Systemtic Name: 2-[2-(2-chloranylphenoxy)ethylsulfanyl]-6-methyl-5-(2-methylpropyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-(2-chlorophenoxy)ethylsulfanyl]-5-isobutyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-(2-chlorophenoxy)ethylthio]-6-methyl-5-(2-methylpropyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2-chlorophenoxy)ethylsulfanyl]-6-methyl-5-(2-methylpropyl)-1H-pyrimidin-4-one Traditional Name: 2-[2-(2-chlorophenoxy)ethylthio]-5-isobutyl-6-methyl-1H-pyrimidin-4-one Formula: C17H21ClN2O2S MolecularWeight: 352.87884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2S/c1-11(2)10-13-12(3)19-17(20-16(13)21)23-9-8-22-15-7-5-4-6-14(15)18/h4-7,11H,8-10H2,1-3H3,(H,19,20,21)