5-[(2,5-dimethylphenyl)methyl]-4-ethyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-2-phenyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-ethyl-2-phenyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)CC)C4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)CC)C4=CC=CC=C4

InChI

InChI=1S/C28H36N4O2S/c1-5-18-35(33,34)32-16-14-31(15-17-32)28-25(20-24-19-21(3)12-13-22(24)4)26(6-2)29-27(30-28)23-10-8-7-9-11-23/h7-13,19H,5-6,14-18,20H2,1-4H3