4-ethyl-2-methyl-5-[(3-methylphenyl)methyl]-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-ethyl-2-methyl-5-[(3-methylphenyl)methyl]-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-2-methyl-5-(m-tolylmethyl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 4-ethyl-2-methyl-5-[(3-methylphenyl)methyl]-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-ethyl-2-methyl-5-[(3-methylphenyl)methyl]-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-2-methyl-5-(3-methylbenzyl)-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=CC=CC(=C3)C)CC)C

Isomeric SMILES

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

InChI

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