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

Systemtic Name: 4-ethyl-2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-ethyl-2-methyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 4-ethyl-2-methyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-ethyl-2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 5-benzyl-4-ethyl-2-methyl-6-(4-tosylpiperazino)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=C(C=C3)C)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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