2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5-propyl-pyrimidin-4-olate Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5-propyl-pyrimidin-4-olate CAS Name: 2-[(4-chlorophenyl)methylthio]-6-methyl-5-propyl-4-pyrimidinolate IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5-propylpyrimidin-4-olate Traditional Name: 2-[(4-chlorobenzyl)thio]-6-methyl-5-propyl-pyrimidin-4-olate Formula: C15H16ClN2OS- MolecularWeight: 307.81834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2OS/c1-3-4-13-10(2)17-15(18-14(13)19)20-9-11-5-7-12(16)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,17,18,19)/p-1