2-[4-[[2,6-bis(fluoranyl)-4-pyrimidin-5-yl-phenoxy]methyl]piperidin-1-yl]-5-ethyl-pyrimidine

Systemtic Name: 2-[4-[[2,6-bis(fluoranyl)-4-pyrimidin-5-yl-phenoxy]methyl]piperidin-1-yl]-5-ethyl-pyrimidine Openeye Name: 2-[4-[(2,6-difluoro-4-pyrimidin-5-yl-phenoxy)methyl]-1-piperidyl]-5-ethyl-pyrimidine CAS Name: 2-[4-[[2,6-difluoro-4-(5-pyrimidinyl)phenoxy]methyl]-1-piperidinyl]-5-ethylpyrimidine IUPAC Name: 2-[4-[(2,6-difluoro-4-pyrimidin-5-ylphenoxy)methyl]piperidin-1-yl]-5-ethylpyrimidine Traditional Name: 2-[4-[[2,6-difluoro-4-(5-pyrimidyl)phenoxy]methyl]piperidino]-5-ethyl-pyrimidine Formula: C22H23F2N5O MolecularWeight: 411.447726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(CC2)COC3=C(C=C(C=C3F)C4=CN=CN=C4)F

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCC(CC2)COC3=C(C=C(C=C3F)C4=CN=CN=C4)F

InChI

InChI=1S/C22H23F2N5O/c1-2-15-9-27-22(28-10-15)29-5-3-16(4-6-29)13-30-21-19(23)7-17(8-20(21)24)18-11-25-14-26-12-18/h7-12,14,16H,2-6,13H2,1H3