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

Systemtic Name: (2S)-2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: (2S)-2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-acetylphenyl)propanamide CAS Name: (2S)-2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-(4-acetylphenyl)propanamide IUPAC Name: (2S)-2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-acetylphenyl)propanamide Traditional Name: (2S)-2-[(5-acetamido-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(4-acetylphenyl)propionamide Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S/c1-8(22)11-4-6-12(7-5-11)19-14(24)9(2)27-17-20-15(25)13(16(26)21-17)18-10(3)23/h4-7,9H,1-3H3,(H,18,23)(H,19,24)(H2,20,21,25,26)/t9-/m0/s1