ethyl 4-(4-fluorophenyl)-2-methylsulfonyl-6-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-methylsulfonyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-6-isopropyl-2-methylsulfonyl-pyrimidine-5-carboxylate CAS Name: 4-(4-fluorophenyl)-2-methylsulfonyl-6-propan-2-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-methylsulfonyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-(4-fluorophenyl)-6-isopropyl-2-mesyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19FN2O4S MolecularWeight: 366.407163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(C)C)S(=O)(=O)C)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(C)C)S(=O)(=O)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN2O4S/c1-5-24-16(21)13-14(10(2)3)19-17(25(4,22)23)20-15(13)11-6-8-12(18)9-7-11/h6-10H,5H2,1-4H3