1-tert-butylsulfanyl-5-[4-[(2-fluoranylphenoxy)methyl]piperidin-1-yl]-6-methyl-2H-pyrazine

Systemtic Name: 1-tert-butylsulfanyl-5-[4-[(2-fluoranylphenoxy)methyl]piperidin-1-yl]-6-methyl-2H-pyrazine Openeye Name: 1-tert-butylsulfanyl-5-[4-[(2-fluorophenoxy)methyl]-1-piperidyl]-6-methyl-2H-pyrazine CAS Name: 1-(tert-butylthio)-5-[4-[(2-fluorophenoxy)methyl]-1-piperidinyl]-6-methyl-2H-pyrazine IUPAC Name: 1-tert-butylsulfanyl-5-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-6-methyl-2H-pyrazine Traditional Name: 1-(tert-butylthio)-5-[4-[(2-fluorophenoxy)methyl]piperidino]-6-methyl-2H-pyrazine Formula: C21H30FN3OS MolecularWeight: 391.545803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CCN1SC(C)(C)C)N2CCC(CC2)COC3=CC=CC=C3F

Isomeric SMILES

CC1=C(N=CCN1SC(C)(C)C)N2CCC(CC2)COC3=CC=CC=C3F

InChI

InChI=1S/C21H30FN3OS/c1-16-20(23-11-14-25(16)27-21(2,3)4)24-12-9-17(10-13-24)15-26-19-8-6-5-7-18(19)22/h5-8,11,17H,9-10,12-15H2,1-4H3