methyl 4-[[2-[(6-amino-1,3,4,6,8-pentazabicyclo[3.3.0]octa-2,4,7-trien-2-yl)sulfanyl]acetyl]amino]benzoate
Molecular Formula:
C13H13N7O3S
InChI: InChI=1/C13H13N7O3S/c1-23-11(22)8-2-4-9(5-3-8)16-10(21)6-24-13-18-17-12-19(14)7-15-20(12)13/h2-5,7H,6,14H2,1H3,(H,16,21)/f/h16H
InChIKey: InChIKey=KHAOHCZGPGFUSF-WYUMXYHSCX
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2N=CN3N
Names:
methyl 4-[[2-[(6-amino-1,3,4,6,8-pentazabicyclo[3.3.0]octa-2,4,7-trien-2-yl)sulfanyl]acetyl]amino]benzoate
Registries:
PubChem CID 4541098
PubChem ID 10216864
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