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

Systemtic Name: ethyl 3-ethyl-6-[3-[(3-fluorophenyl)carbonylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-[3-[(3-fluorobenzoyl)amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-[3-[[(3-fluorophenyl)-oxomethyl]amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-[3-[(3-fluorobenzoyl)amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[3-[(3-fluorobenzoyl)amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H24FN3O3S MolecularWeight: 441.518363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3O3S/c1-4-27-14(3)19(22(29)30-5-2)20(26-23(27)31)15-8-7-11-18(13-15)25-21(28)16-9-6-10-17(24)12-16/h6-13,20H,4-5H2,1-3H3,(H,25,28)(H,26,31)