2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-6-propyl-pyrimidin-4-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCCOC2=CC=C(C=C2)OCC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCCOC2=CC=C(C=C2)OCC)[O-]

InChI

InChI=1S/C17H22N2O3S/c1-3-5-13-12-16(20)19-17(18-13)23-11-10-22-15-8-6-14(7-9-15)21-4-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,19,20)/p-1