(2S)-2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide

Systemtic Name: (2S)-2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide Openeye Name: (2S)-2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide CAS Name: (2S)-2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-(3-chlorophenyl)propanamide IUPAC Name: (2S)-2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide Traditional Name: (2S)-2-[(5-acetamido-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(3-chlorophenyl)propionamide Formula: C15H15ClN4O4S MolecularWeight: 382.822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC(=C(C(=O)N2)NC(=O)C)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Cl)SC2=NC(=C(C(=O)N2)NC(=O)C)O

InChI

InChI=1S/C15H15ClN4O4S/c1-7(12(22)18-10-5-3-4-9(16)6-10)25-15-19-13(23)11(14(24)20-15)17-8(2)21/h3-7H,1-2H3,(H,17,21)(H,18,22)(H2,19,20,23,24)/t7-/m0/s1