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

Systemtic Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidine Openeye Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidine CAS Name: 4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidine IUPAC Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidine Traditional Name: 4-[4-(4-chlorophenyl)sulfonylpiperazino]-6-ethyl-2-methyl-5-(4-methylbenzyl)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)Cl)CC4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

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