Catalog Number:
AG0033TW
Chemical Name:
N10-Trifluoroacetylpteroic acid
CAS Number:
37793-53-6
Molecular Formula:
C16H11F3N6O4
Molecular Weight:
408.2915
MDL Number:
MFCD00006707
IUPAC Name:
4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid
InChI:
InChI=1S/C16H11F3N6O4/c17-16(18,19)14(29)25(9-3-1-7(2-4-9)13(27)28)6-8-5-21-11-10(22-8)12(26)24-15(20)23-11/h1-5H,6H2,(H,27,28)(H3,20,21,23,24,26)
InChI Key:
IJGIHDXKYQLIMA-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N(c1ccc(cc1)C(=O)O)Cc1cnc2c(n1)c(=O)[nH]c(n2)N
