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

Systemtic Name: 4-(4-methylsulfonylphenoxy)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-methylsulfonylphenoxy)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(4-methylsulfonylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(4-mesylphenoxy)-5-nitro-pyrimidine Formula: C22H23N5O5S MolecularWeight: 469.51352

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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)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O5S/c1-33(30,31)19-9-7-18(8-10-19)32-22-20(27(28)29)21(23-16-24-22)26-13-11-25(12-14-26)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3