tert-butyl 4-[[2-(4-fluorophenyl)ethanoyl-methyl-amino]-(2-methylsulfanylpyrimidin-4-yl)carbonyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(4-fluorophenyl)ethanoyl-methyl-amino]-(2-methylsulfanylpyrimidin-4-yl)carbonyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[2-(4-fluorophenyl)acetyl]-methyl-amino]-(2-methylsulfanylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[[2-(4-fluorophenyl)-1-oxoethyl]-methylamino]-[[2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[2-(4-fluorophenyl)acetyl]-methylamino]-(2-methylsulfanylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[[[2-(4-fluorophenyl)acetyl]-methyl-amino]-[2-(methylthio)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H32FN5O4S MolecularWeight: 517.616083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)C2=NC(=NC=C2)SC)N(C)C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)C2=NC(=NC=C2)SC)N(C)C(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H32FN5O4S/c1-25(2,3)35-24(34)30-14-11-19(12-15-30)31(22(33)20-10-13-27-23(28-20)36-5)29(4)21(32)16-17-6-8-18(26)9-7-17/h6-10,13,19H,11-12,14-16H2,1-5H3