4-(4-ethylsulfonylpiperazin-1-yl)-5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenyl-pyrimidine

Systemtic Name: 4-(4-ethylsulfonylpiperazin-1-yl)-5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenyl-pyrimidine Openeye Name: 4-(4-ethylsulfonylpiperazin-1-yl)-5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenyl-pyrimidine CAS Name: 4-(4-ethylsulfonyl-1-piperazinyl)-5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidine IUPAC Name: 4-(4-ethylsulfonylpiperazin-1-yl)-5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidine Traditional Name: 4-(4-esylpiperazino)-5-(2-fluorobenzyl)-6-(methoxymethyl)-2-phenyl-pyrimidine Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3F)COC)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3F)COC)C4=CC=CC=C4

InChI

InChI=1S/C25H29FN4O3S/c1-3-34(31,32)30-15-13-29(14-16-30)25-21(17-20-11-7-8-12-22(20)26)23(18-33-2)27-24(28-25)19-9-5-4-6-10-19/h4-12H,3,13-18H2,1-2H3