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Details

Stereochemistry ACHIRAL
Molecular Formula C19H22N4O4
Molecular Weight 370.4024
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Desmethyl Istradefylline

SMILES

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

InChI

InChIKey=NQIVNUMNTIZJFG-CSKARUKUSA-N
InChI=1S/C19H22N4O4/c1-5-22-17-16(18(25)23(6-2)19(22)26)21(3)15(20-17)10-8-12-7-9-14(27-4)13(24)11-12/h7-11,24H,5-6H2,1-4H3/b10-8+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3-Desmethyl Istradefylline
Common Name English
1,3-Diethyl-8-[(E)-2-(3-hydroxy-4-methoxyphenyl)vinyl]-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Systematic Name English
1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro-8-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]-7-methyl-, (E)
Systematic Name English
Code System Code Type Description
FDA UNII
JV3ZMT76JR
Created by admin on Sat Dec 16 19:52:14 GMT 2023 , Edited by admin on Sat Dec 16 19:52:14 GMT 2023
PRIMARY
CAS
155272-04-1
Created by admin on Sat Dec 16 19:52:14 GMT 2023 , Edited by admin on Sat Dec 16 19:52:14 GMT 2023
PRIMARY
PUBCHEM
6448949
Created by admin on Sat Dec 16 19:52:14 GMT 2023 , Edited by admin on Sat Dec 16 19:52:14 GMT 2023
PRIMARY
NIH
NCATS
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