(2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide (Q27460227)

(2r)-2-{[4-(4-Chlorophenyl)-5-Cyano-6-Oxo-1,6-Dihydropyrimidin-2-Yl]sulfanyl}-N-(4-Sulfamoylphenyl)propanamide (English)

(2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₁₆ClN₅O₄S₂

1 reference

(2r)-2-{[4-(4-Chlorophenyl)-5-Cyano-6-Oxo-1,6-Dihydropyrimidin-2-Yl]sulfanyl}-N-(4-Sulfamoylphenyl)propanamide (English)

19 October 2016

canonical SMILES

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

1 reference

(2r)-2-{[4-(4-Chlorophenyl)-5-Cyano-6-Oxo-1,6-Dihydropyrimidin-2-Yl]sulfanyl}-N-(4-Sulfamoylphenyl)propanamide (English)

19 October 2016

isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

1 reference

(2r)-2-{[4-(4-Chlorophenyl)-5-Cyano-6-Oxo-1,6-Dihydropyrimidin-2-Yl]sulfanyl}-N-(4-Sulfamoylphenyl)propanamide (English)

InChI=1S/C20H16ClN5O4S2/c1-11(18(27)24-14-6-8-15(9-7-14)32(23,29)30)31-20-25-17(16(10-22)19(28)26-20)12-2-4-13(21)5-3-12/h2-9,11H,1H3,(H,24,27)(H2,23,29,30)(H,25,26,28)/t11-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

(2r)-2-{[4-(4-Chlorophenyl)-5-Cyano-6-Oxo-1,6-Dihydropyrimidin-2-Yl]sulfanyl}-N-(4-Sulfamoylphenyl)propanamide (English)

JDIGFAGHWNBGPU-LLVKDONJSA-N

19 October 2016

InChIKey

1 reference

(2r)-2-{[4-(4-Chlorophenyl)-5-Cyano-6-Oxo-1,6-Dihydropyrimidin-2-Yl]sulfanyl}-N-(4-Sulfamoylphenyl)propanamide (English)

19 October 2016

1 reference

(2r)-2-{[4-(4-Chlorophenyl)-5-Cyano-6-Oxo-1,6-Dihydropyrimidin-2-Yl]sulfanyl}-N-(4-Sulfamoylphenyl)propanamide (English)

19 October 2016

0 references

1 reference

5J8Z (English)