2,2,2-Trifluoroacetic acid compound with 2-(2-isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid (1:1)

CAS No.
1638487-44-1
CCD No.
CCD08294074
Formula
C13H14F3N5O6
MolWeight
393.2754

Basic Information

Product Name: 2,2,2-Trifluoroacetic acid compound with 2-(2-isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid (1:1)
CAS: 1638487-44-1
English Synonyms: 2,2,2-TRIFLUOROACETIC ACID COMPOUND WITH 2-(2-ISOBUTYRAMIDO-6-OXO-1H-PURIN-9(6H)-YL)ACETIC ACID (1:1)
H bond acceptor: 0
H bond donor: 0
Smile: C(C(C)C)(=O)NC=1NC(C=2N=CN(C2N1)CC(=O)O)=O.FC(C(=O)O)(F)F
InChi: InChI=1S/C11H13N5O4.C2HF3O2/c1-5(2)9(19)14-11-13-8-7(10(20)15-11)12-4-16(8)3-6(17)18;3-2(4,5)1(6)7/h4-5H,3H2,1-2H3,(H,17,18)(H2,13,14,15,19,20);(H,6,7)
InChiKey: InChIKey=KYEIVXPDFHYFIC-UHFFFAOYSA-N

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