7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex
[CAS# 78093-77-3]

Identification

• Name: 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex
• Synonyms: Adenin-9-Yl-Ethyl-Amine; 2-(2,4-Diketo-7,8-Dimethyl-1,9A-Dihydrobenzo[G]Pteridin-10-Yl)Acetic Acid; Heptahydrate; 2-(7,8-Dimethyl-2,4-Dioxo-1,9A-Dihydrobenzo[G]Pteridin-10-Yl)Ethanoic Acid; N'-Ethylpurine-6,9-Diamine; Heptahydrate
• Molecular Formula: C₂₁H₃₈N₁₀O₁₁
• Molecular Weight: 606.59
• CAS Registry Number: 78093-77-3
• SMILES: [N]1(NCC)C2=C(N=C1)C(=NC=N2)N.C(N3C5=C(N=C4C3C=C(C(=C4)C)C)C(=O)NC(=O)N5)C(=O)O.O.O.O.O.O.O.O
• InChI: 1S/C14H14N4O4.C7H10N6.7H2O/c1-6-3-8-9(4-7(6)2)18(5-10(19)20)12-11(15-8)13(21)17-14(22)16-12;1-2-12-13-4-11-5-6(8)9-3-10-7(5)13;;;;;;;/h3-4,9H,5H2,1-2H3,(H,19,20)(H2,16,17,21,22);3-4,12H,2H2,1H3,(H2,8,9,10);7*1H2
• InChIKey: YJGCYCWZAMSUSY-UHFFFAOYSA-N