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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-methyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-methyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-methyl-2-phenyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-methyl-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-methyl-2-phenyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C27H34N4O2S MolecularWeight: 478.64946

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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)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2S/c1-5-17-34(32,33)31-15-13-30(14-16-31)27-25(19-24-18-20(2)11-12-21(24)3)22(4)28-26(29-27)23-9-7-6-8-10-23/h6-12,18H,5,13-17,19H2,1-4H3