ACEFYLLINE PIPERAZINE

Molecular Formula: C22H28N10O8


InChI: InChI=1/C18H18N8O8.C4H10N2/c1-21-13-11(23(7-19-13)5-9(27)28)15(31)25(17(21)33)3-4-26-16(32)12-14(22(2)18(26)34)20-8-24(12)6-10(29)30;1-2-6-4-3-5-1/h7-8H,3-6H2,1-2H3,(H,27,28)(H,29,30);5-6H,1-4H2/f/h27,29H;

InChIKey: InChIKey=XTZJCBDYMVRBKJ-YGNRWSEACP
SMILES: CN1C2=C(C(=O)N(C1=O)CCN3C(=O)C4=C(N=CN4CC(=O)O)N(C3=O)C)N(C=N2)CC(=O)O.C1CNCCN1

Names:
    ACEFYLLINE PIPERAZINE
    1399-36-6
    2-[1-[2-[7-(carboxymethyl)-3-methyl-2,6-dioxo-purin-1-yl]ethyl]-3-methyl-2,6-dioxo-purin-7-yl]acetic acid; piperazine

Registries:
    PubChem CID 14958
    PubChem ID 158272