Catalog Number:
AG001UFR
Chemical Name:
9H-Purine-9-acetic acid, 1,6-dihydro-2-[(2-methyl-1-oxopropyl)amino]-6-oxo-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1638487-44-1
Molecular Formula:
C13H14F3N5O6
Molecular Weight:
393.2754
MDL Number:
MFCD28144962
IUPAC Name:
2-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]acetic acid;2,2,2-trifluoroacetic acid
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)
InChI Key:
KYEIVXPDFHYFIC-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.OC(=O)Cn1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O
