ethyl (6S)-3-ethyl-4-[[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-ethyl-4-[[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-4-[[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-[[[4-(4-fluorophenyl)-2-pyrimidinyl]thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-4-[[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-4-[[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H25FN4O3S MolecularWeight: 492.565103

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CSC3=NC=CC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)CSC3=NC=CC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H25FN4O3S/c1-3-31-21(16-35-25-28-15-14-20(29-25)17-10-12-19(27)13-11-17)22(24(32)34-4-2)23(30-26(31)33)18-8-6-5-7-9-18/h5-15,23H,3-4,16H2,1-2H3,(H,30,33)/t23-/m0/s1