5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-(4-octylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(4-chlorobenzyl)-4-ethyl-2-methyl-6-(4-octylsulfonylpiperazino)pyrimidine Formula: C26H39ClN4O2S MolecularWeight: 507.13146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)CC)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)CC)C

InChI

InChI=1S/C26H39ClN4O2S/c1-4-6-7-8-9-10-19-34(32,33)31-17-15-30(16-18-31)26-24(25(5-2)28-21(3)29-26)20-22-11-13-23(27)14-12-22/h11-14H,4-10,15-20H2,1-3H3