2-methyl-5-nitro-4-(4-phenylpiperidin-1-yl)-6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidine

Systemtic Name: 2-methyl-5-nitro-4-(4-phenylpiperidin-1-yl)-6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidine Openeye Name: 2-methyl-5-nitro-4-(4-phenyl-1-piperidyl)-6-(2,2,2-trifluoroethoxy)pyrimidine CAS Name: 2-methyl-5-nitro-4-(4-phenyl-1-piperidinyl)-6-(2,2,2-trifluoroethoxy)pyrimidine IUPAC Name: 2-methyl-5-nitro-4-(4-phenylpiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine Traditional Name: 2-methyl-5-nitro-4-(4-phenylpiperidino)-6-(2,2,2-trifluoroethoxy)pyrimidine Formula: C18H19F3N4O3 MolecularWeight: 396.36367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCC(F)(F)F)[N+](=O)[O-])N2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C(=N1)OCC(F)(F)F)[N+](=O)[O-])N2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H19F3N4O3/c1-12-22-16(15(25(26)27)17(23-12)28-11-18(19,20)21)24-9-7-14(8-10-24)13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3