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

Systemtic Name: N-(4-ethanoylphenyl)-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H19N3O4S/c1-13(25)15-7-9-16(10-8-15)22-18(26)12-29-21-23-19(27)17(20(28)24-21)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,26)(H2,23,24,27,28)