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

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-bromophenoxy)ethylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[2-(4-bromophenoxy)ethylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromophenoxy)ethylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[2-(4-bromophenoxy)ethylthio]-6-propyl-pyrimidin-4-olate Formula: C15H16BrN2O2S- MolecularWeight: 368.26874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O2S/c1-2-3-12-10-14(19)18-15(17-12)21-9-8-20-13-6-4-11(16)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H,17,18,19)/p-1