2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-propyl-pyrimidin-4-olate Formula: C17H21N2O2S- MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/c1-4-5-14-11-16(20)19-17(18-14)22-7-6-21-15-9-12(2)8-13(3)10-15/h8-11H,4-7H2,1-3H3,(H,18,19,20)/p-1