氨基蝶呤(54-62-6)质谱(MS)
分子式:C19H20N8O5
分子量: 440.41
InChI:InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
InChIKey: TVZGACDUOSZQKY-LBPRGKRZSA-N
Smiles:C(O)(=O)[C@H](CCC(O)=O)NC(=O)C1=CC=C(NCC2C=NC3C(N=2)=C(N)N=C(N)N=3)C=C1