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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24Cl2N6O3S
Molecular Weight 511.425
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5'-DEOXY-2,5'-DICHLORO-N-(4-(PHENYLSULFANYL)-1-PIPERIDINYL)ADENOSINE

SMILES

O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)N2C=NC3=C(NN4CCC(CC4)SC5=CC=CC=C5)N=C(Cl)N=C23

InChI

InChIKey=ZWMXNEWPLAOIAZ-WVSUBDOOSA-N
InChI=1S/C21H24Cl2N6O3S/c22-10-14-16(30)17(31)20(32-14)29-11-24-15-18(25-21(23)26-19(15)29)27-28-8-6-13(7-9-28)33-12-4-2-1-3-5-12/h1-5,11,13-14,16-17,20,30-31H,6-10H2,(H,25,26,27)/t14-,16-,17-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24Cl2N6O3S
Molecular Weight 511.425
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:44:33 GMT 2023
Edited
by admin
on Sat Dec 16 09:44:33 GMT 2023
Record UNII
6QNY4326HD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5'-DEOXY-2,5'-DICHLORO-N-(4-(PHENYLSULFANYL)-1-PIPERIDINYL)ADENOSINE
Systematic Name English
ADENOSINE, 2,5'-DICHLORO-5'-DEOXY-N-(4-(PHENYLTHIO)-1-PIPERIDINYL)-
Systematic Name English
NNC-210147
Code English
2,5'-DICHLORO-5'-DEOXY-N-(4-(PHENYLTHIO)-1-PIPERIDINYL)ADENOSINE
Systematic Name English
(2R,3R,4S,5S)-2-(2-CHLORO-6-((4-(PHENYLSULFANYL)PIPERIDIN-1-YL)AMINO)-9H-PURIN-9-YL)-5-(CHLOROMETHYL)OXOLANE-3,4-DIOL
Systematic Name English
NNC-21-0147
Code English
NNC210147
Code English
Code System Code Type Description
PUBCHEM
9806398
Created by admin on Sat Dec 16 09:44:33 GMT 2023 , Edited by admin on Sat Dec 16 09:44:33 GMT 2023
PRIMARY
CAS
169190-51-6
Created by admin on Sat Dec 16 09:44:33 GMT 2023 , Edited by admin on Sat Dec 16 09:44:33 GMT 2023
PRIMARY
FDA UNII
6QNY4326HD
Created by admin on Sat Dec 16 09:44:33 GMT 2023 , Edited by admin on Sat Dec 16 09:44:33 GMT 2023
PRIMARY