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

Systemtic Name: 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-(p-tolylmethyl)pyrimidine CAS Name: 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidine Traditional Name: 4-(4-benzylsulfonylpiperazino)-2,6-dimethyl-5-(4-methylbenzyl)pyrimidine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H30N4O2S/c1-19-9-11-22(12-10-19)17-24-20(2)26-21(3)27-25(24)28-13-15-29(16-14-28)32(30,31)18-23-7-5-4-6-8-23/h4-12H,13-18H2,1-3H3