4-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-5-(2-fluorobenzyl)-2-methyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C21H29FN4O2S MolecularWeight: 420.543963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4O2S/c1-4-14-29(27,28)26-12-10-25(11-13-26)21-18(20(5-2)23-16(3)24-21)15-17-8-6-7-9-19(17)22/h6-9H,4-5,10-15H2,1-3H3