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Details

Stereochemistry ACHIRAL
Molecular Formula C29H24ClN5O2S2
Molecular Weight 574.116
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Neladenoson

SMILES

OCCOC1=CC=C(C=C1)C2=C(C#N)C(SCC3=CSC(=N3)C4=CC=C(Cl)C=C4)=NC(N5CCCC5)=C2C#N

InChI

InChIKey=RFJKJKQQWXKVTD-UHFFFAOYSA-N
InChI=1S/C29H24ClN5O2S2/c30-21-7-3-20(4-8-21)28-33-22(17-38-28)18-39-29-25(16-32)26(19-5-9-23(10-6-19)37-14-13-36)24(15-31)27(34-29)35-11-1-2-12-35/h3-10,17,36H,1-2,11-14,18H2

HIDE SMILES / InChI

Molecular Formula C29H24ClN5O2S2
Molecular Weight 574.116
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:29:34 UTC 2023
Edited
by admin
on Sat Dec 16 19:29:34 UTC 2023
Record UNII
VZ2KZF4L9S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Neladenoson
Common Name English
2-[[[2-(4-Chlorophenyl)-4-thiazolyl]methyl]thio]-4-[4-(2-hydroxyethoxy)phenyl]-6-(1-pyrrolidinyl)-3,5-pyridinedicarbonitrile
Systematic Name English
3,5-Pyridinedicarbonitrile, 2-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-4-[4-(2-hydroxyethoxy)phenyl]-6-(1-pyrrolidinyl)-
Systematic Name English
Code System Code Type Description
CAS
1239234-36-6
Created by admin on Sat Dec 16 19:29:34 UTC 2023 , Edited by admin on Sat Dec 16 19:29:34 UTC 2023
PRIMARY
PUBCHEM
46847262
Created by admin on Sat Dec 16 19:29:34 UTC 2023 , Edited by admin on Sat Dec 16 19:29:34 UTC 2023
PRIMARY
FDA UNII
VZ2KZF4L9S
Created by admin on Sat Dec 16 19:29:34 UTC 2023 , Edited by admin on Sat Dec 16 19:29:34 UTC 2023
PRIMARY
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