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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19N5O
Molecular Weight 309.3657
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATL-444

SMILES

C[C@@H]1CCC[C@](O)(C1)C#CC2=NC3=C(N=CN3CC#C)C(N)=N2

InChI

InChIKey=VEJLEEFUXFQSHP-SJKOYZFVSA-N
InChI=1S/C17H19N5O/c1-3-9-22-11-19-14-15(18)20-13(21-16(14)22)6-8-17(23)7-4-5-12(2)10-17/h1,11-12,23H,4-5,7,9-10H2,2H3,(H2,18,20,21)/t12-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H19N5O
Molecular Weight 309.3657
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:11:43 UTC 2023
Edited
by admin
on Sat Dec 16 18:11:43 UTC 2023
Record UNII
Y29E2DV2VU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATL-444
Code English
CYCLOHEXANOL, 1-((6-AMINO-9-(2-PROPYNYL)-9H-PURIN-2-YL)ETHYNYL)-3-METHYL-, (1S,3R)-
Systematic Name English
CYCLOHEXANOL, 1-(2-(6-AMINO-9-(2-PROPYN-1-YL)-9H-PURIN-2-YL)ETHYNYL)-3-METHYL-, (1S,3R)-
Systematic Name English
2-(2-(1(S)-HYDROXY-3(R)-METHYLCYCLOHEXYL)ETHYNYL)-9-PROPARGYLADENINE
Systematic Name English
(1S,3R)-1-(2-(6-AMINO-9-(2-PROPYN-1-YL)-9H-PURIN-2-YL)ETHYNYL)-3-METHYLCYCLOHEXANOL
Systematic Name English
Code System Code Type Description
WIKIPEDIA
ATL-444
Created by admin on Sat Dec 16 18:11:44 UTC 2023 , Edited by admin on Sat Dec 16 18:11:44 UTC 2023
PRIMARY
CAS
867054-13-5
Created by admin on Sat Dec 16 18:11:44 UTC 2023 , Edited by admin on Sat Dec 16 18:11:44 UTC 2023
PRIMARY
PUBCHEM
11616539
Created by admin on Sat Dec 16 18:11:44 UTC 2023 , Edited by admin on Sat Dec 16 18:11:44 UTC 2023
PRIMARY
FDA UNII
Y29E2DV2VU
Created by admin on Sat Dec 16 18:11:44 UTC 2023 , Edited by admin on Sat Dec 16 18:11:44 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY