2-cyclohexyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: 2-cyclohexyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylate Openeye Name: 2-cyclohexyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-cyclohexyl-4-[(3-fluorophenyl)methylthio]-6-methyl-5-pyrimidinecarboxylate IUPAC Name: 2-cyclohexyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methylpyrimidine-5-carboxylate Traditional Name: 2-cyclohexyl-4-[(3-fluorobenzyl)thio]-6-methyl-pyrimidine-5-carboxylate Formula: C19H20FN2O2S- MolecularWeight: 359.437703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCCC2)SCC3=CC(=CC=C3)F)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCCC2)SCC3=CC(=CC=C3)F)C(=O)[O-]

InChI

InChI=1S/C19H21FN2O2S/c1-12-16(19(23)24)18(25-11-13-6-5-9-15(20)10-13)22-17(21-12)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11H2,1H3,(H,23,24)/p-1