Chemical Component Summary

Name(S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE
FormulaC8 H9 B9 N4
Molecular Weight258.483
TypeNON-POLYMER
Isomeric SMILESB123B45B167B289B31B823B966B744B622[C@@]45[C+]321Cc1c(nc(nc1N)N)C
InChIInChI=1S/C8H9B9N4/c1-3-4(5(18)21-6(19)20-3)2-8-7-9-11-10(8)14(8)12(7,8)13(7,9)15(9,11)16(10,11,14)17(12,13,14)15/h2H2,1H3,(H4,18,19,20,21)/q+1
InChIKeyLMKIHIJGTSLZFQ-UHFFFAOYSA-N

Chemical Details

Formal Charge1
Atom Count30
Chiral Atom Count1
Bond Count45
Aromatic Bond Count6