NSC291104

Molecular Formula: C20H30BrN5O4Sn


InChI: InChI=1/C12H12BrN5O4.2C4H9.Sn/c13-9-4(1-14)6-10(15)16-3-17-11(6)18(9)12-8(21)7(20)5(2-19)22-12;2*1-3-4-2;/h3,5,7-8,12,19-21H,2H2,(H2,15,16,17);2*1,3-4H2,2H3;/f/h15H2;;;/rC12H12BrN5O4.C8H18Sn/c13-9-4(1-14)6-10(15)16-3-17-11(6)18(9)12-8(21)7(20)5(2-19)22-12;1-3-5-7-9-8-6-4-2/h3,5,7-8,12,19-21H,2H2,(H2,15,16,17);3-8H2,1-2H3/f/h15H2;

InChIKey: InChIKey=XIIZXBDAPROWEI-OHELEAKECG
SMILES: CCCC[Sn]CCCC.C1=NC2=C(C(=C(N2C3C(C(C(O3)CO)O)O)Br)C#N)C(=N1)N

Names:
    NSC291104
    5-amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene-7-carbonitrile; dibutyltin
    83379-23-1

Registries:
    PubChem CID 324773
    PubChem ID 145407