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

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(p-tolyl)pyrimidine CAS Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(4-methylphenyl)pyrimidine Traditional Name: 5-benzyl-4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-6-methyl-2-(p-tolyl)pyrimidine Formula: C33H38N4O2S MolecularWeight: 554.74542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)CC5=CC=CC=C5)C

InChI

InChI=1S/C33H38N4O2S/c1-24-11-13-27(14-12-24)31-34-25(2)30(23-26-9-7-6-8-10-26)32(35-31)36-19-21-37(22-20-36)40(38,39)29-17-15-28(16-18-29)33(3,4)5/h6-18H,19-23H2,1-5H3