[4-(4-tert-butylphenoxy)-2-(2-methylpropylsulfanyl)pyrimidin-5-yl] piperidine-1-carboxylate

Systemtic Name: [4-(4-tert-butylphenoxy)-2-(2-methylpropylsulfanyl)pyrimidin-5-yl] piperidine-1-carboxylate Openeye Name: [4-(4-tert-butylphenoxy)-2-isobutylsulfanyl-pyrimidin-5-yl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [4-(4-tert-butylphenoxy)-2-(2-methylpropylthio)-5-pyrimidinyl] ester IUPAC Name: [4-(4-tert-butylphenoxy)-2-(2-methylpropylsulfanyl)pyrimidin-5-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [4-(4-tert-butylphenoxy)-2-(isobutylthio)pyrimidin-5-yl] ester Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC=C(C(=N1)OC2=CC=C(C=C2)C(C)(C)C)OC(=O)N3CCCCC3

Isomeric SMILES

CC(C)CSC1=NC=C(C(=N1)OC2=CC=C(C=C2)C(C)(C)C)OC(=O)N3CCCCC3

InChI

InChI=1S/C24H33N3O3S/c1-17(2)16-31-22-25-15-20(30-23(28)27-13-7-6-8-14-27)21(26-22)29-19-11-9-18(10-12-19)24(3,4)5/h9-12,15,17H,6-8,13-14,16H2,1-5H3