4-[4,4-bis(fluoranyl)piperidin-1-yl]-6-(4-cyclopentylphenoxy)-5-nitro-pyrimidine

Systemtic Name: 4-[4,4-bis(fluoranyl)piperidin-1-yl]-6-(4-cyclopentylphenoxy)-5-nitro-pyrimidine Openeye Name: 4-(4-cyclopentylphenoxy)-6-(4,4-difluoro-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-(4-cyclopentylphenoxy)-6-(4,4-difluoro-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-(4-cyclopentylphenoxy)-6-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-cyclopentylphenoxy)-6-(4,4-difluoropiperidino)-5-nitro-pyrimidine Formula: C20H22F2N4O3 MolecularWeight: 404.410486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC=C(C=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)(F)F

Isomeric SMILES

C1CCC(C1)C2=CC=C(C=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)(F)F

InChI

InChI=1S/C20H22F2N4O3/c21-20(22)9-11-25(12-10-20)18-17(26(27)28)19(24-13-23-18)29-16-7-5-15(6-8-16)14-3-1-2-4-14/h5-8,13-14H,1-4,9-12H2