N-(4-ethoxyphenyl)-2-[[5-(3-methylbutyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[[5-(3-methylbutyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[(4-hydroxy-5-isopentyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[(4-hydroxy-5-isoamyl-6-keto-1H-pyrimidin-2-yl)thio]-N-p-phenetyl-acetamide Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CCC(C)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CCC(C)C)O

InChI

InChI=1S/C19H25N3O4S/c1-4-26-14-8-6-13(7-9-14)20-16(23)11-27-19-21-17(24)15(18(25)22-19)10-5-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,23)(H2,21,22,24,25)