4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidine Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-6-(4-methylsulfonylphenoxy)-5-nitropyrimidine IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylsulfonylphenoxy)-5-nitropyrimidine Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-6-(4-mesylphenoxy)-5-nitro-pyrimidine Formula: C21H20FN5O5S MolecularWeight: 473.477403

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN5O5S/c1-33(30,31)16-8-6-15(7-9-16)32-21-19(27(28)29)20(23-14-24-21)26-12-10-25(11-13-26)18-5-3-2-4-17(18)22/h2-9,14H,10-13H2,1H3