tert-butyl 4-[3-(2-phenoxyethylsulfanyl)pyrazin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2-phenoxyethylsulfanyl)pyrazin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-phenoxyethylsulfanyl)pyrazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-(2-phenoxyethylthio)-2-pyrazinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-phenoxyethylsulfanyl)pyrazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-phenoxyethylthio)pyrazin-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CN=C2SCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CN=C2SCCOC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-21(2,3)28-20(26)25-13-11-24(12-14-25)18-19(23-10-9-22-18)29-16-15-27-17-7-5-4-6-8-17/h4-10H,11-16H2,1-3H3