1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane

Systemtic Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Openeye Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane CAS Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-4-octylsulfonyl-1,4-diazepane IUPAC Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Traditional Name: 1-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Formula: C26H39FN4O2S MolecularWeight: 490.676863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)C)C

InChI

InChI=1S/C26H39FN4O2S/c1-4-5-6-7-8-9-18-34(32,33)31-15-11-14-30(16-17-31)26-25(21(2)28-22(3)29-26)20-23-12-10-13-24(27)19-23/h10,12-13,19H,4-9,11,14-18,20H2,1-3H3