1-(4,6-dimethylpyrimidin-2-yl)-3-(phenylsulfonyl)urea; N-octoxymethanamide

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(phenylsulfonyl)urea; N-octoxymethanamide Openeye Name: 1-(benzenesulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)urea; N-octoxyformamide CAS Name: 1-(benzenesulfonyl)-3-(4,6-dimethyl-2-pyrimidinyl)urea; N-octoxyformamide IUPAC Name: 1-(benzenesulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)urea; N-octoxyformamide Traditional Name: 1-besyl-3-(4,6-dimethylpyrimidin-2-yl)urea; N-octoxyformamide Formula: C22H33N5O5S MolecularWeight: 479.59292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCONC=O.CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCONC=O.CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H14N4O3S.C9H19NO2/c1-9-8-10(2)15-12(14-9)16-13(18)17-21(19,20)11-6-4-3-5-7-11;1-2-3-4-5-6-7-8-12-10-9-11/h3-8H,1-2H3,(H2,14,15,16,17,18);9H,2-8H2,1H3,(H,10,11)