2-[2-(2-chloranylphenoxy)ethylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate

Systemtic Name: 2-[2-(2-chloranylphenoxy)ethylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate Openeye Name: 2-[2-(2-chlorophenoxy)ethylsulfanyl]-5-isopentyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[2-(2-chlorophenoxy)ethylthio]-6-methyl-5-(3-methylbutyl)-4-pyrimidinolate IUPAC Name: 2-[2-(2-chlorophenoxy)ethylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate Traditional Name: 2-[2-(2-chlorophenoxy)ethylthio]-5-isoamyl-6-methyl-pyrimidin-4-olate Formula: C18H22ClN2O2S- MolecularWeight: 365.89748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCCOC2=CC=CC=C2Cl)[O-])CCC(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SCCOC2=CC=CC=C2Cl)[O-])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)/p-1