6-[1-ethylsulfonyl-4-(phenylmethyl)piperazin-2-yl]-2-phenyl-1H-pyrimidin-4-one

Systemtic Name: 6-[1-ethylsulfonyl-4-(phenylmethyl)piperazin-2-yl]-2-phenyl-1H-pyrimidin-4-one Openeye Name: 6-(4-benzyl-1-ethylsulfonyl-piperazin-2-yl)-2-phenyl-1H-pyrimidin-4-one CAS Name: 6-[1-ethylsulfonyl-4-(phenylmethyl)-2-piperazinyl]-2-phenyl-1H-pyrimidin-4-one IUPAC Name: 6-(4-benzyl-1-ethylsulfonylpiperazin-2-yl)-2-phenyl-1H-pyrimidin-4-one Traditional Name: 6-(4-benzyl-1-esyl-piperazin-2-yl)-2-phenyl-1H-pyrimidin-4-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1C2=CC(=O)N=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1C2=CC(=O)N=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-2-31(29,30)27-14-13-26(16-18-9-5-3-6-10-18)17-21(27)20-15-22(28)25-23(24-20)19-11-7-4-8-12-19/h3-12,15,21H,2,13-14,16-17H2,1H3,(H,24,25,28)