2-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(p-tolyl)acetamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)C)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)C)O

InChI

InChI=1S/C17H21N3O3S/c1-3-4-5-13-15(22)19-17(20-16(13)23)24-10-14(21)18-12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,18,21)(H2,19,20,22,23)