1-(5-butyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-3-(phenylsulfonyl)urea

Systemtic Name: 1-(5-butyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-3-(phenylsulfonyl)urea Openeye Name: 1-(benzenesulfonyl)-3-(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)urea CAS Name: 1-(benzenesulfonyl)-3-(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)urea IUPAC Name: 1-(benzenesulfonyl)-3-(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)urea Traditional Name: 1-besyl-3-(5-butyl-4-keto-6-methyl-1H-pyrimidin-2-yl)urea Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H20N4O4S/c1-3-4-10-13-11(2)17-15(18-14(13)21)19-16(22)20-25(23,24)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H3,17,18,19,20,21,22)