3-Ethyl 4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-4-[3-(Tetrahydro-1,3-Dimethyl-2,4,6-Trioxo-5(2H)-Pyrimidinylidene)Prop-1-Enyl]-1H-Pyrazole-3-Carboxylate
[CAS# 68541-06-0]

Identification

• Name: 3-Ethyl 4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-4-[3-(Tetrahydro-1,3-Dimethyl-2,4,6-Trioxo-5(2H)-Pyrimidinylidene)Prop-1-Enyl]-1H-Pyrazole-3-Carboxylate
• Synonyms: 4-[4-[(Z)-3-(1,3-Dimethyl-2,4,6-Trioxo-Hexahydropyrimidin-5-Ylidene)Prop-1-Enyl]-3-Ethoxycarbonyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 4-[4-[(Z)-3-(1,3-Dimethyl-2,4,6-Trioxo-5-Hexahydropyrimidinylidene)Prop-1-Enyl]-3-Ethoxycarbonyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 4-[3-Carbethoxy-5-Keto-4-[(Z)-3-(2,4,6-Triketo-1,3-Dimethyl-Hexahydropyrimidin-5-Ylidene)Prop-1-Enyl]-4H-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₂₁H₂₀N₄O₉S
• Molecular Weight: 504.47
• CAS Registry Number: 68541-06-0
• EINECS: 271-339-1
• SMILES: C1=CC(=CC=C1N3C(C(\C=C/C=C2C(N(C(=O)N(C2=O)C)C)=O)C(=N3)C(=O)OCC)=O)[S](=O)(=O)O
• InChI: 1S/C21H20N4O9S/c1-4-34-20(29)16-14(6-5-7-15-17(26)23(2)21(30)24(3)18(15)27)19(28)25(22-16)12-8-10-13(11-9-12)35(31,32)33/h5-11,14H,4H2,1-3H3,(H,31,32,33)/b6-5-
• InChIKey: LPWLXKNBOCPXEE-WAYWQWQTSA-N

Properties

• Density: 1.53g/cm³ (Cal.)