2-[(4-bromophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(4-bromophenyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(4-bromobenzyl)thio]-6-propyl-pyrimidin-4-olate Formula: C14H14BrN2OS- MolecularWeight: 338.24276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C14H15BrN2OS/c1-2-3-12-8-13(18)17-14(16-12)19-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3,(H,16,17,18)/p-1