1,3-Dipropyl-8-(2-Aminoethylaminothiocarbonyl-(4-Aminophenyl)(Aminothiocarbonyl-(2-Aminoethylaminocarbonyl-(4-Methoxy(Phenyl)))))Xanthine
[CAS# 119305-44-1]

Identification

• Name: 1,3-Dipropyl-8-(2-Aminoethylaminothiocarbonyl-(4-Aminophenyl)(Aminothiocarbonyl-(2-Aminoethylaminocarbonyl-(4-Methoxy(Phenyl)))))Xanthine
• Synonyms: [2-[[2-[4-(2,6-Dioxo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]-1-Oxoethyl]Amino]Ethylamino]Methanethioic Acid S-[[4-[[[(2-Aminoethylamino)Thio]-Oxomethyl]Amino]Phenyl]Amino] Ester; [2-[[2-[4-(2,6-Diketo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]Acetyl]Amino]Ethylamino]Methanethioic Acid S-[[4-[[(2-Aminoethylamino)Thio]Carbonylamino]Phenyl]Amino] Ester; S-[[4-[(2-Aminoethylamino)Sulfanylcarbonylamino]Phenyl]Amino] [2-[2-[4-(2,6-Dioxo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]Ethanoylamino]Ethylamino]Methanethioate
• Molecular Formula: C₃₁H₄₀N₁₀O₆S₂
• Molecular Weight: 712.84
• CAS Registry Number: 119305-44-1
• SMILES: C3=C(C1=NC2=C([NH]1)C(=O)N(C(=O)N2CCC)CCC)C=CC(=C3)OCC(=O)NCCNC(SNC4=CC=C(NC(SNCCN)=O)C=C4)=O
• InChI: 1S/C31H40N10O6S2/c1-3-17-40-27-25(28(43)41(18-4-2)31(40)46)37-26(38-27)20-5-11-23(12-6-20)47-19-24(42)33-15-16-34-29(44)49-39-22-9-7-21(8-10-22)36-30(45)48-35-14-13-32/h5-12,35,39H,3-4,13-19,32H2,1-2H3,(H,33,42)(H,34,44)(H,36,45)(H,37,38)
• InChIKey: QJPCSTWBXCCCGJ-UHFFFAOYSA-N