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

Systemtic Name: 2,4-dimethyl-5-[(3-methylphenyl)methyl]-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 2,4-dimethyl-5-(m-tolylmethyl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 2,4-dimethyl-5-[(3-methylphenyl)methyl]-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 2,4-dimethyl-5-[(3-methylphenyl)methyl]-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 2,4-dimethyl-5-(3-methylbenzyl)-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-5-13-28(26,27)25-11-9-24(10-12-25)21-20(17(3)22-18(4)23-21)15-19-8-6-7-16(2)14-19/h6-8,14H,5,9-13,15H2,1-4H3