2-methylpropyl 3-ethyl-6-[4-[2-(4-fluorophenyl)ethanoylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 3-ethyl-6-[4-[2-(4-fluorophenyl)ethanoylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-[4-[[2-(4-fluorophenyl)-1-oxoethyl]amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C26H30FN3O3S MolecularWeight: 483.598103

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)F)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)F)C(=O)OCC(C)C)C

InChI

InChI=1S/C26H30FN3O3S/c1-5-30-17(4)23(25(32)33-15-16(2)3)24(29-26(30)34)19-8-12-21(13-9-19)28-22(31)14-18-6-10-20(27)11-7-18/h6-13,16,24H,5,14-15H2,1-4H3,(H,28,31)(H,29,34)