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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidine Traditional Name: 4-(4-besylpiperazino)-5-(4-chlorobenzyl)-6-ethyl-2-methyl-pyrimidine Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4O2S/c1-3-23-22(17-19-9-11-20(25)12-10-19)24(27-18(2)26-23)28-13-15-29(16-14-28)32(30,31)21-7-5-4-6-8-21/h4-12H,3,13-17H2,1-2H3