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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-2,4-dimethyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C22H32N4O2S MolecularWeight: 416.58008

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2S/c1-6-13-29(27,28)26-11-9-25(10-12-26)22-21(18(4)23-19(5)24-22)15-20-14-16(2)7-8-17(20)3/h7-8,14H,6,9-13,15H2,1-5H3