CP-532,903 (Q5013584)

SCHEMBL935050 (English)

21 September 2016

chemical formula

C₁₈H₁₉Cl₂N₇O₃

1 reference

SCHEMBL935050 (English)

21 September 2016

canonical SMILES

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=C(C=CC(=C4)Cl)Cl)O)N

1 reference

SCHEMBL935050 (English)

21 September 2016

isomeric SMILES

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NCC4=C(C=CC(=C4)Cl)Cl)O)N

1 reference

SCHEMBL935050 (English)

InChI=1S/C18H19Cl2N7O3/c1-22-17(29)14-11(21)13(28)18(30-14)27-7-26-12-15(24-6-25-16(12)27)23-5-8-4-9(19)2-3-10(8)20/h2-4,6-7,11,13-14,18,28H,5,21H2,1H3,(H,22,29)(H,23,24,25)/t11-,13+,14-,18+/m0/s1

21 September 2016

Identifiers

InChI

1 reference

SCHEMBL935050 (English)

21 September 2016

1 reference

SCHEMBL935050 (English)

21 September 2016

1 reference

https://commonchemistry.cas.org/detail?cas_rn=457612-59-8

8 April 2021

1 reference

(2S,3S,4R,5R)-3-Amino-5-{6-[(2,5-dichlorobenzyl)amino]-9H-purin-9-yl}-4-hydroxy-N-methyltetrahydro-2-furancarboxamide (English)

21 September 2016

2 references

SCHEMBL935050 (English)

21 September 2016

SureChEMBL ID

SCHEMBL935050

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

DTXCID40391409

0 references

UNII

J233Z26QH5

1 reference