4-(4-butylsulfonylpiperazin-1-yl)-5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidine

Systemtic Name: 4-(4-butylsulfonylpiperazin-1-yl)-5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidine Openeye Name: 4-(4-butylsulfonylpiperazin-1-yl)-5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidine CAS Name: 4-(4-butylsulfonyl-1-piperazinyl)-5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidine IUPAC Name: 4-(4-butylsulfonylpiperazin-1-yl)-5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidine Traditional Name: 4-(4-butylsulfonylpiperazino)-5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidine Formula: C21H29FN4O2S MolecularWeight: 420.543963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)C)C

Isomeric SMILES

CCCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)C)C

InChI

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