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

Systemtic Name: 2-(3-fluorophenyl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-2-(3-fluorophenyl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-pyrimidine CAS Name: 2-(3-fluorophenyl)-4-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-6-methyl-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-2-(3-fluorophenyl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine Traditional Name: 5-benzyl-2-(3-fluorophenyl)-4-[4-(4-methoxyphenyl)sulfonylpiperazino]-6-methyl-pyrimidine Formula: C29H29FN4O3S MolecularWeight: 532.628963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C29H29FN4O3S/c1-21-27(19-22-7-4-3-5-8-22)29(32-28(31-21)23-9-6-10-24(30)20-23)33-15-17-34(18-16-33)38(35,36)26-13-11-25(37-2)12-14-26/h3-14,20H,15-19H2,1-2H3