6-methyl-2-(phenylmethylsulfanyl)-5-propyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-(phenylmethylsulfanyl)-5-propyl-pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-methyl-5-propyl-pyrimidin-4-olate CAS Name: 6-methyl-2-(phenylmethylthio)-5-propyl-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-methyl-5-propylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-methyl-5-propyl-pyrimidin-4-olate Formula: C15H17N2OS- MolecularWeight: 273.37328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

Isomeric SMILES

CCCC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

InChI

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