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

Systemtic Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Openeye Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane CAS Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-4-octylsulfonyl-1,4-diazepane IUPAC Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Traditional Name: 1-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Formula: C27H41FN4O2S MolecularWeight: 504.703443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41FN4O2S/c1-4-6-7-8-9-10-19-35(33,34)32-16-12-15-31(17-18-32)27-25(26(5-2)29-22(3)30-27)21-23-13-11-14-24(28)20-23/h11,13-14,20H,4-10,12,15-19,21H2,1-3H3