2-[2-(2-butoxyphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(2-butoxyphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-butoxyphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[2-(2-butoxyphenoxy)ethylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-butoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[2-(2-butoxyphenoxy)ethylthio]-6-methyl-pyrimidin-4-olate Formula: C17H21N2O3S- MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1OCCSC2=NC(=CC(=N2)[O-])C

Isomeric SMILES

CCCCOC1=CC=CC=C1OCCSC2=NC(=CC(=N2)[O-])C

InChI

InChI=1S/C17H22N2O3S/c1-3-4-9-21-14-7-5-6-8-15(14)22-10-11-23-17-18-13(2)12-16(20)19-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19,20)/p-1