(Q5057289)

canonical SMILES

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=C(N4CCO)N)C(=O)[O-]

1 reference

BHXLLRXDAYEMPP-SBGRAJFYSA-N (no linguistic content)

8 February 2019

CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(N4CCO)N)C(=O)[O-]

1 reference

InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1

BHXLLRXDAYEMPP-SBGRAJFYSA-N (no linguistic content)

8 February 2019

1 reference

Medical Subject Headings

MeSH descriptor ID

C079769

retrieved

15 March 2018

Identifiers

InChI

1 reference

BHXLLRXDAYEMPP-SBGRAJFYSA-N (no linguistic content)

8 February 2019

1 reference

imported from Wikimedia project

BHXLLRXDAYEMPP-SBGRAJFYSA-N (no linguistic content)

8 February 2019

1 reference

English Wikipedia

ChemSpider ID

16736411

1 reference

imported from Wikimedia project

2 references

BHXLLRXDAYEMPP-SBGRAJFYSA-N (no linguistic content)

retrieved

8 February 2019

PubChem CID

5748845

SureChEMBL ID

SCHEMBL74633

2 references

based on heuristic

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference