AK5

3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide


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Chemical Component Summary

Name3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide
Identifiers3-[3-(6-amino-5-bromo-pyrimidin-4-yl)sulfanylpropanoylamino]-4-methoxy-N-phenyl-benzamide
FormulaC21 H20 Br N5 O3 S
Molecular Weight502.384
TypeNON-POLYMER
Isomeric SMILESCOc1ccc(cc1NC(=O)CCSc2c(c(ncn2)N)Br)C(=O)Nc3ccccc3
InChIInChI=1S/C21H20BrN5O3S/c1-30-16-8-7-13(20(29)26-14-5-3-2-4-6-14)11-15(16)27-17(28)9-10-31-21-18(22)19(23)24-12-25-21/h2-8,11-12H,9-10H2,1H3,(H,26,29)(H,27,28)(H2,23,24,25)
InChIKeySSEJHILVXYLIBN-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count53
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 25243836