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Details

Stereochemistry ACHIRAL
Molecular Formula C18H20N4O4
Molecular Weight 356.3758
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Didesmethyl Istradefylline

SMILES

CCN1C2=C(N(C)C(\C=C\C3=CC(O)=C(O)C=C3)=N2)C(=O)N(CC)C1=O

InChI

InChIKey=GFRYELUTTBEJFS-VQHVLOKHSA-N
InChI=1S/C18H20N4O4/c1-4-21-16-15(17(25)22(5-2)18(21)26)20(3)14(19-16)9-7-11-6-8-12(23)13(24)10-11/h6-10,23-24H,4-5H2,1-3H3/b9-7+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3,4-Didesmethyl Istradefylline
Common Name English
(8E)-1,3-Diethyl-8-[(2Z)-2-(3-hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)ethylidene]-7-methyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Systematic Name English
1H-Purine-2,6-dione, 8-[2-(3,4-dihydroxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl-, (E)
Systematic Name English
Code System Code Type Description
CAS
155272-03-0
Created by admin on Sat Dec 16 19:52:15 GMT 2023 , Edited by admin on Sat Dec 16 19:52:15 GMT 2023
PRIMARY
FDA UNII
KBG7B48ZMQ
Created by admin on Sat Dec 16 19:52:15 GMT 2023 , Edited by admin on Sat Dec 16 19:52:15 GMT 2023
PRIMARY
PUBCHEM
135770338
Created by admin on Sat Dec 16 19:52:15 GMT 2023 , Edited by admin on Sat Dec 16 19:52:15 GMT 2023
PRIMARY
NIH
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