tert-butyl 4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)-4-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)-4-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)-4-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-4-[2-(trifluoromethyl)-4-quinazolinyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)-4-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-1-carboxylate Traditional Name: 4-piperazino-2-(thiazolidine-3-carbonyl)-4-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H33F3N6O3S MolecularWeight: 566.63883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NC(=NC4=CC=CC=C43)C(F)(F)F)N5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NC(=NC4=CC=CC=C43)C(F)(F)F)N5CCNCC5

InChI

InChI=1S/C26H33F3N6O3S/c1-24(2,3)38-23(37)35-15-25(34-10-8-30-9-11-34,14-19(35)21(36)33-12-13-39-16-33)20-17-6-4-5-7-18(17)31-22(32-20)26(27,28)29/h4-7,19,30H,8-16H2,1-3H3