5-ethyl-2-[(3S,4R)-3-fluoranyl-4-[4-[[2-fluoranyl-4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,2,3-triazol-2-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 5-ethyl-2-[(3S,4R)-3-fluoranyl-4-[4-[[2-fluoranyl-4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,2,3-triazol-2-yl]piperidin-1-yl]pyrimidine Openeye Name: 5-ethyl-2-[(3S,4R)-3-fluoro-4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]-1-piperidyl]pyrimidine CAS Name: 5-ethyl-2-[(3S,4R)-3-fluoro-4-[4-[[2-fluoro-4-(1-tetrazolyl)phenoxy]methyl]-2-triazolyl]-1-piperidinyl]pyrimidine IUPAC Name: 5-ethyl-2-[(3S,4R)-3-fluoro-4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidin-1-yl]pyrimidine Traditional Name: 5-ethyl-2-[(3S,4R)-3-fluoro-4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidino]pyrimidine Formula: C21H22F2N10O MolecularWeight: 468.462586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(C(C2)F)N3N=CC(=N3)COC4=C(C=C(C=C4)N5C=NN=N5)F

Isomeric SMILES

CCC1=CN=C(N=C1)N2CC[C@H]([C@H](C2)F)N3N=CC(=N3)COC4=C(C=C(C=C4)N5C=NN=N5)F

InChI

InChI=1S/C21H22F2N10O/c1-2-14-8-24-21(25-9-14)31-6-5-19(18(23)11-31)33-27-10-15(28-33)12-34-20-4-3-16(7-17(20)22)32-13-26-29-30-32/h3-4,7-10,13,18-19H,2,5-6,11-12H2,1H3/t18-,19+/m0/s1