2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-(phenylmethyl)pyrimidine

Systemtic Name: 2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-(4-tosylpiperazino)pyrimidine Formula: C29H29FN4O2S MolecularWeight: 516.629563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC(=CC=C5)F

InChI

InChI=1S/C29H29FN4O2S/c1-21-11-13-26(14-12-21)37(35,36)34-17-15-33(16-18-34)29-27(19-23-7-4-3-5-8-23)22(2)31-28(32-29)24-9-6-10-25(30)20-24/h3-14,20H,15-19H2,1-2H3