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

Systemtic Name: 2-cyclopentyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylate Openeye Name: 2-cyclopentyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopentyl-4-[(3-fluorophenyl)methylthio]-6-methyl-5-pyrimidinecarboxylate IUPAC Name: 2-cyclopentyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methylpyrimidine-5-carboxylate Traditional Name: 2-cyclopentyl-4-[(3-fluorobenzyl)thio]-6-methyl-pyrimidine-5-carboxylate Formula: C18H18FN2O2S- MolecularWeight: 345.411123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCC2)SCC3=CC(=CC=C3)F)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCC2)SCC3=CC(=CC=C3)F)C(=O)[O-]

InChI

InChI=1S/C18H19FN2O2S/c1-11-15(18(22)23)17(21-16(20-11)13-6-2-3-7-13)24-10-12-5-4-8-14(19)9-12/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H,22,23)/p-1