CHEBI:62876 - LDW639

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ChEBI Name LDW639
ChEBI ID CHEBI:62876
Definition A thiopyranopyrimidine that is 1,5,7,8-tetrahydro-4H-thiino[4,3-d]pyrimidin-4-one which is substituted at position 2 by a p-(aminomethyl)phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
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Formula C14H15N3OS
Net Charge 0
Average Mass 273.355
Monoisotopic Mass 273.09358
InChI InChI=1S/C14H15N3OS/c15-7-9-1-3-10(4-2-9)13-16-12-5-6-19-8-11(12)14(18)17-13/h1-4H,5-8,15H2,(H,16,17,18)
InChIKey JIFVMXFPCPTMIM-UHFFFAOYSA-N
SMILES C=12CSCCC1N=C(NC2=O)C=3C=CC(=CC3)CN
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing LDW639 (CHEBI:62876) is a organic sulfide (CHEBI:16385)
LDW639 (CHEBI:62876) is a primary amino compound (CHEBI:50994)
LDW639 (CHEBI:62876) is a thiopyranopyrimidine (CHEBI:62886)
IUPAC Name
2-[4-(aminomethyl)phenyl]-3,5,7,8-tetrahydro-4H-thiino[4,3-d]pyrimidin-4-one
Citation Waiting for Citations Type Source
19759537 PubMed citation SUBMITTER
Last Modified
22 February 2019