1,3-Dipropyl-8-(Isothiocyanatophenyl(Aminothiocarbonyl-(2-Aminoethylaminocarbonyl-(4-Methyloxy(Phenyl)))))Xanthine
[CAS# 119305-41-8]

Identification

• Name: 1,3-Dipropyl-8-(Isothiocyanatophenyl(Aminothiocarbonyl-(2-Aminoethylaminocarbonyl-(4-Methyloxy(Phenyl)))))Xanthine
• Synonyms: [2-[[2-[4-(2,6-Dioxo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]-1-Oxoethyl]Amino]Ethylamino]Methanethioic Acid S-[(3-Isothiocyanatophenyl)Amino] Ester; [2-[[2-[4-(2,6-Diketo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]Acetyl]Amino]Ethylamino]Methanethioic Acid S-[(3-Isothiocyanatophenyl)Amino] Ester; S-[(3-Isothiocyanatophenyl)Amino] [2-[2-[4-(2,6-Dioxo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]Ethanoylamino]Ethylamino]Methanethioate
• Molecular Formula: C₂₉H₃₂N₈O₅S₂
• Molecular Weight: 636.74
• CAS Registry Number: 119305-41-8
• SMILES: S=C=NC1=CC(=CC=C1)NSC(NCCNC(COC2=CC=C(C=C2)C3=NC4=C([NH]3)C(N(C(N4CCC)=O)CCC)=O)=O)=O
• InChI: 1S/C29H32N8O5S2/c1-3-14-36-26-24(27(39)37(15-4-2)29(36)41)33-25(34-26)19-8-10-22(11-9-19)42-17-23(38)30-12-13-31-28(40)44-35-21-7-5-6-20(16-21)32-18-43/h5-11,16,35H,3-4,12-15,17H2,1-2H3,(H,30,38)(H,31,40)(H,33,34)
• InChIKey: UIQNSBMRMNOCFJ-UHFFFAOYSA-N