2-methoxyethyl (6R)-3-(3-fluoranyl-4-methyl-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (6R)-3-(3-fluoranyl-4-methyl-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-3-(3-fluoro-4-methyl-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3-fluoro-4-methylphenyl)-6-[4-(1-imidazolyl)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-3-(3-fluoro-4-methylphenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3-fluoro-4-methyl-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C25H25FN4O3S MolecularWeight: 480.554403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC=C(C=C3)N4C=CN=C4)C(=O)OCCOC)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C([C@H](NC2=S)C3=CC=C(C=C3)N4C=CN=C4)C(=O)OCCOC)C)F

InChI

InChI=1S/C25H25FN4O3S/c1-16-4-7-20(14-21(16)26)30-17(2)22(24(31)33-13-12-32-3)23(28-25(30)34)18-5-8-19(9-6-18)29-11-10-27-15-29/h4-11,14-15,23H,12-13H2,1-3H3,(H,28,34)/t23-/m1/s1