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

Systemtic Name: 2-[2-(4-cyanophenoxy)ethylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-cyanophenoxy)ethylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[2-(4-cyanophenoxy)ethylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-cyanophenoxy)ethylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[2-(4-cyanophenoxy)ethylthio]-6-propyl-pyrimidin-4-olate Formula: C16H16N3O2S- MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-2-3-13-10-15(20)19-16(18-13)22-9-8-21-14-6-4-12(11-17)5-7-14/h4-7,10H,2-3,8-9H2,1H3,(H,18,19,20)/p-1