ethyl 6-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H24ClFN4O3S MolecularWeight: 490.978063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)OCC)C

InChI

InChI=1S/C23H24ClFN4O3S/c1-4-29-13(3)19(21(30)32-5-2)20(28-23(29)33)14-6-8-15(9-7-14)26-22(31)27-16-10-11-18(25)17(24)12-16/h6-12,20H,4-5H2,1-3H3,(H,28,33)(H2,26,27,31)