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

Systemtic Name: 4-(4-ethylsulfonylpiperazin-1-yl)-5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-methyl-pyrimidine Openeye Name: 4-(4-ethylsulfonylpiperazin-1-yl)-5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-methyl-pyrimidine CAS Name: 4-(4-ethylsulfonyl-1-piperazinyl)-5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidine IUPAC Name: 4-(4-ethylsulfonylpiperazin-1-yl)-5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidine Traditional Name: 4-(4-esylpiperazino)-5-(2-fluorobenzyl)-6-(methoxymethyl)-2-methyl-pyrimidine Formula: C20H27FN4O3S MolecularWeight: 422.516783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27FN4O3S/c1-4-29(26,27)25-11-9-24(10-12-25)20-17(13-16-7-5-6-8-18(16)21)19(14-28-3)22-15(2)23-20/h5-8H,4,9-14H2,1-3H3