tert-butyl 4-(2-phenylquinazolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-phenylquinazolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(2-phenylquinazolin-4-yl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-[oxo(3-thiazolidinyl)methyl]-4-(2-phenyl-4-quinazolinyl)-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-phenylquinazolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(2-phenylquinazolin-4-yl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C31H38N6O3S MolecularWeight: 574.73682

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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)C5=CC=CC=C5)N6CCNCC6

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)N6CCNCC6

InChI

InChI=1S/C31H38N6O3S/c1-30(2,3)40-29(39)37-20-31(36-15-13-32-14-16-36,19-25(37)28(38)35-17-18-41-21-35)26-23-11-7-8-12-24(23)33-27(34-26)22-9-5-4-6-10-22/h4-12,25,32H,13-21H2,1-3H3