tert-butyl 4-[4-[[8-cyclopentyl-7-oxidanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[8-cyclopentyl-7-oxidanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[8-cyclopentyl-7-oxo-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[8-cyclopentyl-7-oxo-5-(trifluoromethyl)-2-pyrido[2,3-d]pyrimidinyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[8-cyclopentyl-7-oxo-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[8-cyclopentyl-7-keto-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H33F3N6O3 MolecularWeight: 558.59523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5CCCC5)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5CCCC5)C(F)(F)F

InChI

InChI=1S/C28H33F3N6O3/c1-27(2,3)40-26(39)36-14-12-35(13-15-36)19-10-8-18(9-11-19)33-25-32-17-21-22(28(29,30)31)16-23(38)37(24(21)34-25)20-6-4-5-7-20/h8-11,16-17,20H,4-7,12-15H2,1-3H3,(H,32,33,34)