4-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidine Traditional Name: 4-(4-besylpiperazino)-6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C25H30N4O2S/c1-4-24-23(18-21-12-10-19(2)11-13-21)25(27-20(3)26-24)28-14-16-29(17-15-28)32(30,31)22-8-6-5-7-9-22/h5-13H,4,14-18H2,1-3H3