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

Systemtic Name: 5-[(2-chloranylphenoxy)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[(2-chlorophenoxy)methyl]-2-isopentylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-chlorophenoxy)methyl]-6-methyl-2-(3-methylbutylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-chlorophenoxy)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-[(2-chlorophenoxy)methyl]-2-(isoamylthio)-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)SCCC(C)C)COC2=CC=CC=C2Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCC(C)C)COC2=CC=CC=C2Cl

InChI

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