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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidine CAS Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidine Traditional Name: 4-(4-benzylsulfonylpiperazino)-5-(4-chlorobenzyl)-6-ethyl-2-methyl-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)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4O2S/c1-3-24-23(17-20-9-11-22(26)12-10-20)25(28-19(2)27-24)29-13-15-30(16-14-29)33(31,32)18-21-7-5-4-6-8-21/h4-12H,3,13-18H2,1-2H3