4-[(4-fluorophenyl)methylsulfanyl]-6-methyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: 4-[(4-fluorophenyl)methylsulfanyl]-6-methyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: 4-[(4-fluorophenyl)methylsulfanyl]-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-[(4-fluorophenyl)methylthio]-6-methyl-2-thiophen-2-yl-5-pyrimidinecarboxylate IUPAC Name: 4-[(4-fluorophenyl)methylsulfanyl]-6-methyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[(4-fluorobenzyl)thio]-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylate Formula: C17H12FN2O2S2- MolecularWeight: 359.417783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SCC3=CC=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SCC3=CC=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C17H13FN2O2S2/c1-10-14(17(21)22)16(20-15(19-10)13-3-2-8-23-13)24-9-11-4-6-12(18)7-5-11/h2-8H,9H2,1H3,(H,21,22)/p-1