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

Systemtic Name: tert-butyl 4-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-[oxo(3-thiazolidinyl)methyl]-4-[4-(2-phenyl-4-quinazolinyl)-1-piperazinyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(2-phenylquinazolin-4-yl)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)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

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