4-(4-methylsulfonylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(4-methylsulfonylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-methylsulfonylphenoxy)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-(4-methylsulfonylphenoxy)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-methylsulfonylphenoxy)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-mesylphenoxy)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C20H20N6O5S MolecularWeight: 456.475

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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=N4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H20N6O5S/c1-32(29,30)16-7-5-15(6-8-16)31-20-18(26(27)28)19(22-14-23-20)25-12-10-24(11-13-25)17-4-2-3-9-21-17/h2-9,14H,10-13H2,1H3