2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl Acetate

1,1′-[2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-1,3-propanediyl] diacetate
1,3-Propanediol, 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-, 1,3-diacetate
1,3-Propanediol, 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-, diacetate (ester)
2-Amino-6-chloro-9-(4-acetoxy-3-acetoxymethylbutyl)purine
9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine
[2-(Acetyloxymethyl)-4-(2-amino-6-chloropurin-9-yl)butyl] acetate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	KXPSHSVVYGZKAV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H18ClN5O4/c1-8(21)23-5-10(6-24-9(2)22)3-4-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,10H,3-6H2,1-2H3,(H2,16,18,19)
IUPAC name chemrof:IUPAC_name	2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl Acetate
Molecular formula chemrof:molecular_formula	C14H18ClN5O4
Molecular mass chemrof:molecular_mass	355.782
Monoisotopic mass chemrof:monoisotopic_mass	355.104732
SMILES string chemrof:smiles_string	CC(=O)OCC(CCn1cnc2c(Cl)nc(N)nc21)COC(C)=O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=97845-60-8	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.131.954	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID60436245	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V9DM57H0B7	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.484.494E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10155164	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72434274	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
a4a7694e-bc06-4e93-aba9-0f300be133fc	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
67cd1127-73a0-4bf2-a34e-e6ebdb97fed0	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
05d148a7-2178-4ff6-8627-6ef2ae44f9ab	Environmental → Air → Indoor	EF 3.1	kg	2
244b43f0-d105-4cea-aca0-2f448ca77c40	Environmental → Air → Long-term	EF 3.1	kg	0
6b7204db-bea4-43c2-84f0-fa1a0b4ccf65	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
401c017d-9037-41f9-9f39-a7b6611f7e02	Environmental → Air → Unknown	EF 3.1	kg	2
eac32021-14ab-4723-a0c1-cb189d710707	Environmental → Ground → Agricultural	EF 3.1	kg	2
19a2e750-afac-4be1-9646-82a46cac48db	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
a5e2c963-363e-425e-9a01-0c9f26ed1471	Environmental → Ground → Unknown	EF 3.1	kg	2
dc090fab-550d-492c-9ae9-945782e9bf32	Environmental → Water → Long-term	EF 3.1	kg	0
75cd996e-de54-4e17-af58-6a869300d4ca	Environmental → Water → Ocean	EF 3.1	kg	2
3515b1dc-b238-4c76-b317-09fb1549cb84	Environmental → Water → Surface water	EF 3.1	kg	2
4b3d99d3-86ca-49d0-b84a-c72c6de6e026	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl Acetate

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