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

Systemtic Name: 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidine Openeye Name: 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-(p-tolylmethyl)pyrimidine CAS Name: 4-(4-butylsulfonyl-1-piperazinyl)-2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidine IUPAC Name: 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidine Traditional Name: 4-(4-butylsulfonylpiperazino)-2,6-dimethyl-5-(4-methylbenzyl)pyrimidine Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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