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

Systemtic Name: 2-methylpropyl 3-ethyl-6-[4-[(3-fluorophenyl)carbonylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-6-[4-[(3-fluorobenzoyl)amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-[4-[[(3-fluorophenyl)-oxomethyl]amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-6-[4-[(3-fluorobenzoyl)amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[4-[(3-fluorobenzoyl)amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C25H28FN3O3S MolecularWeight: 469.571523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28FN3O3S/c1-5-29-16(4)21(24(31)32-14-15(2)3)22(28-25(29)33)17-9-11-20(12-10-17)27-23(30)18-7-6-8-19(26)13-18/h6-13,15,22H,5,14H2,1-4H3,(H,27,30)(H,28,33)