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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-pentyl-pyrimidin-4-olate Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-pentyl-pyrimidin-4-olate CAS Name: 2-[(2-chlorophenyl)methylthio]-6-methyl-5-pentyl-4-pyrimidinolate IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-pentylpyrimidin-4-olate Traditional Name: 5-amyl-2-[(2-chlorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C17H20ClN2OS- MolecularWeight: 335.8715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2Cl)C

Isomeric SMILES

CCCCCC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2Cl)C

InChI

InChI=1S/C17H21ClN2OS/c1-3-4-5-9-14-12(2)19-17(20-16(14)21)22-11-13-8-6-7-10-15(13)18/h6-8,10H,3-5,9,11H2,1-2H3,(H,19,20,21)/p-1