(2S)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)butanamide

Systemtic Name: (2S)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Openeye Name: (2S)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)butanamide CAS Name: (2S)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(4-nitrophenyl)butanamide IUPAC Name: (2S)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Traditional Name: (2S)-2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]-N-(4-nitrophenyl)butyramide Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C22H19N5O5S/c1-3-18(21(29)24-14-6-8-15(9-7-14)27(30)31)33-22-25-19(17(12-23)20(28)26-22)13-4-10-16(32-2)11-5-13/h4-11,18H,3H2,1-2H3,(H,24,29)(H,25,26,28)/t18-/m0/s1