N-(2,5-dimethylphenyl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(2,5-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(2,5-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(2,5-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(2,5-dimethylphenyl)-3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=NC(=CC(=O)N2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C15H17N3O3S/c1-9-3-4-10(2)11(7-9)16-12(19)5-6-22-15-17-13(20)8-14(21)18-15/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H2,17,18,20,21)