Consensus flow list

5,5'-(1h-isoindole-1,3(2h)-diylidene)dipyrimidine-2,4,6(1h,3h,5h)-trione

fo-3ffc7026b986917d

Identity

Type
Neutral molecule
CAS
36888-99-0
EC
253-256-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 5,5'-(1h-isoindole-1,3(2h)-diylidene)dipyrimidine-2,4,6(1h,3h,5h)-trione

Alternative labels

43

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JSBMGPVJAADXIZ-UHFFFAOYSA-N, VXQNQGCWKZPKET-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H9N5O6/c22-11-7(12(23)19-15(26)18-11)9-5-3-1-2-4-6(5)10(17-9)8-13(24)20-16(27)21-14(8)25/h1-4,17H,(H2,18,19,22,23,26)(H2,20,21,24,25,27)
IUPAC name chemrof:IUPAC_name 5,5'-(1h-isoindole-1,3(2h)-diylidene)dipyrimidine-2,4,6(1h,3h,5h)-trione
Molecular formula chemrof:molecular_formula C16H9N5O6
SMILES string chemrof:smiles_string O=C1NC(=O)C(=c2[nH]c(=C3C(=O)NC(=O)NC3=O)c3ccccc23)C(=O)N1

Known URLs

8

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=36888-99-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.048.399 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7068007 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZW25289FVV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.126E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/160357 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126600660 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q21099590 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f1166c5d-5846-4924-9558-5ee9fd5cfe46 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b64366aa-4c91-406c-8f2b-27e712fa527a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e400cd6c-ec69-45c9-b544-3fadf0413f2d Environmental → Air → Indoor EF 3.1 kg 4
e516183d-707d-475b-be80-4b541475083d Environmental → Air → Long-term EF 3.1 kg 0
199a98da-b097-4370-8525-31b9e501517d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e5ca768e-027d-45b2-8f69-49eb3c58aee9 Environmental → Air → Unknown EF 3.1 kg 4
b6473448-c763-4247-a127-50f724b79dd7 Environmental → Ground → Agricultural EF 3.1 kg 4
2a1fc60d-b4bb-488c-95e7-4905d783b5c4 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b56a4c93-8f11-49c2-8b5c-f95ec4d49323 Environmental → Ground → Unknown EF 3.1 kg 4
ac45c802-ae83-4032-9971-708db71ca34b Environmental → Water → Long-term EF 3.1 kg 0
892521d0-0237-4b3a-9fb5-f557bd48c10f Environmental → Water → Ocean EF 3.1 kg 4
c8c81100-e1ed-4c32-b608-25d4a9de65eb Environmental → Water → Surface water EF 3.1 kg 4
e5c94042-5a42-40aa-b94e-7416a1c9bb2d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5′-(1H-isoindole-1,3(2H)-diylidene)bis-",
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