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

Systemtic Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Openeye Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)butanamide CAS Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(4-nitrophenyl)butanamide IUPAC Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Traditional Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-keto-1H-pyrimidin-2-yl]thio]-N-(4-nitrophenyl)butyramide Formula: C23H22N6O4S MolecularWeight: 478.52358

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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)N(C)C)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)N(C)C)C#N

InChI

InChI=1S/C23H22N6O4S/c1-4-19(22(31)25-15-7-11-17(12-8-15)29(32)33)34-23-26-20(18(13-24)21(30)27-23)14-5-9-16(10-6-14)28(2)3/h5-12,19H,4H2,1-3H3,(H,25,31)(H,26,27,30)/t19-/m0/s1