2-(3-fluorophenyl)-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-5-(phenylmethyl)pyrimidine

Systemtic Name: 2-(3-fluorophenyl)-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-[4-(2-naphthylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 2-(3-fluorophenyl)-4-methyl-6-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-[4-(2-naphthylsulfonyl)piperazino]pyrimidine Formula: C32H29FN4O2S MolecularWeight: 552.661663

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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=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6

InChI

InChI=1S/C32H29FN4O2S/c1-23-30(20-24-8-3-2-4-9-24)32(35-31(34-23)27-12-7-13-28(33)21-27)36-16-18-37(19-17-36)40(38,39)29-15-14-25-10-5-6-11-26(25)22-29/h2-15,21-22H,16-20H2,1H3