tert-butyl 4-[4-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanylidene-pyrazol-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanylidene-pyrazol-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-3-oxo-pyrazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-fluorophenyl)-2-methyl-5-[2-(methylthio)-4-pyrimidinyl]-3-oxo-1-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-3-oxopyrazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)-3-keto-2-methyl-5-[2-(methylthio)pyrimidin-4-yl]-3-pyrazolin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30FN5O3S MolecularWeight: 499.600803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C(=C(C(=O)N2C)C3=CC=C(C=C3)F)C4=NC(=NC=C4)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C(=C(C(=O)N2C)C3=CC=C(C=C3)F)C4=NC(=NC=C4)SC

InChI

InChI=1S/C25H30FN5O3S/c1-25(2,3)34-24(33)30-14-11-18(12-15-30)31-21(19-10-13-27-23(28-19)35-5)20(22(32)29(31)4)16-6-8-17(26)9-7-16/h6-10,13,18H,11-12,14-15H2,1-5H3