5-butyl-2-[2-(2-chloranylphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-butyl-2-[2-(2-chloranylphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-butyl-2-[2-(2-chlorophenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-butyl-2-[2-(2-chlorophenoxy)ethylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-butyl-2-[2-(2-chlorophenoxy)ethylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-butyl-2-[2-(2-chlorophenoxy)ethylthio]-6-methyl-pyrimidin-4-olate Formula: C17H20ClN2O2S- MolecularWeight: 351.8709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1[O-])SCCOC2=CC=CC=C2Cl)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1[O-])SCCOC2=CC=CC=C2Cl)C

InChI

InChI=1S/C17H21ClN2O2S/c1-3-4-7-13-12(2)19-17(20-16(13)21)23-11-10-22-15-9-6-5-8-14(15)18/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,19,20,21)/p-1