tert-butyl 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O3S/c1-22(2,3)31-21(30)28-9-5-16(6-10-28)18-25-17(15-32-18)19(29)26-11-13-27(14-12-26)20-23-7-4-8-24-20/h4,7-8,15-16H,5-6,9-14H2,1-3H3