(Q82978266)

English

9-{3-O-[(2-Chlorophenoxy)(2-cyanoethoxy)phosphoryl]-2-deoxypentofuranosyl}-6-{[hydroxy(phenyl)methylidene]amino}-9H-purine

group of stereoisomers with the chemical formula C₂₆H₂₄ClN₆O₇P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

598.1132614180001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₄ClN₆O₇P

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based on heuristic

inferred from SMILES

canonical SMILES

N#CCCOP(=O)(Oc1ccccc1Cl)OC1CC(n2cnc3c(N=C(O)c4ccccc4)ncnc32)OC1CO

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

N#CCCOP(=O)(Oc1ccccc1Cl)O[C@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H24ClN6O7P/c27-18-9-4-5-10-19(18)39-41(36,37-12-6-11-28)40-20-13-22(38-21(20)14-34)33-16-31-23-24(29-15-30-25(23)33)32-26(35)17-7-2-1-3-8-17/h1-5,7-10,15-16,20-22,34H,6,12-14H2,(H,29,30,32,35)/t20-,21+,22+,41?/m0/s1

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InChIKey

NWCUSZKCOKMJIF-SDHLMFEHSA-N

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CAS Registry Number

69434-23-7

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InChIKey

NWCUSZKCOKMJIF-SDHLMFEHSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=69434-23-7

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26 December 2021

1 reference

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DSSTOX compound identifier

DTXCID601416412

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(Q82978266)

9-{3-O-[(2-Chlorophenoxy)(2-cyanoethoxy)phosphoryl]-2-deoxypentofuranosyl}-6-{[hydroxy(phenyl)methylidene]amino}-9H-purine

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