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

Systemtic Name: (2S)-2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-ethanoylphenyl)butanamide Openeye Name: (2S)-2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-acetylphenyl)butanamide CAS Name: (2S)-2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-(4-acetylphenyl)butanamide IUPAC Name: (2S)-2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-acetylphenyl)butanamide Traditional Name: (2S)-2-[(5-acetamido-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(4-acetylphenyl)butyramide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[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/C18H20N4O5S/c1-4-13(15(25)20-12-7-5-11(6-8-12)9(2)23)28-18-21-16(26)14(17(27)22-18)19-10(3)24/h5-8,13H,4H2,1-3H3,(H,19,24)(H,20,25)(H2,21,22,26,27)/t13-/m0/s1