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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 5-(4-chlorobenzyl)-4-ethyl-2-methyl-6-(4-tosylpiperazino)pyrimidine Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O2S/c1-4-24-23(17-20-7-9-21(26)10-8-20)25(28-19(3)27-24)29-13-15-30(16-14-29)33(31,32)22-11-5-18(2)6-12-22/h5-12H,4,13-17H2,1-3H3