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

Systemtic Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)butanamide Openeye Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)butanamide Traditional Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-keto-1H-pyrimidin-2-yl]thio]-N-(4-sulfamoylphenyl)butyramide Formula: C23H24N6O4S2 MolecularWeight: 512.60446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)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)S(=O)(=O)N)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)N(C)C)C#N

InChI

InChI=1S/C23H24N6O4S2/c1-4-19(22(31)26-15-7-11-17(12-8-15)35(25,32)33)34-23-27-20(18(13-24)21(30)28-23)14-5-9-16(10-6-14)29(2)3/h5-12,19H,4H2,1-3H3,(H,26,31)(H2,25,32,33)(H,27,28,30)/t19-/m0/s1