2-[(3-methylphenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-(m-tolylmethylsulfanyl)-6-propyl-pyrimidin-4-olate CAS Name: 2-[(3-methylphenyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(3-methylbenzyl)thio]-6-propyl-pyrimidin-4-olate Formula: C15H17N2OS- MolecularWeight: 273.37328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2OS/c1-3-5-13-9-14(18)17-15(16-13)19-10-12-7-4-6-11(2)8-12/h4,6-9H,3,5,10H2,1-2H3,(H,16,17,18)/p-1