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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H25ClN8O5
Molecular Weight 528.948
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-608039

SMILES

CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)N2C=NC3=C(NCC4=C(OCC5=CC(C)=NO5)C=CC(Cl)=C4)N=CN=C23

InChI

InChIKey=PKUZHLZHLVHAIO-QYUDBREXSA-N
InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H25ClN8O5
Molecular Weight 528.948
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 Fri Dec 15 15:25:42 GMT 2023
Edited
by admin
on Fri Dec 15 15:25:42 GMT 2023
Record UNII
A1LB8I4247
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-608039
Common Name English
.BETA.-D-RIBOFURANURONAMIDE, 3-AMINO-1-(6-(((5-CHLORO-2-((3-METHYL-5-ISOXAZOLYL)METHOXY)PHENYL)METHYL)AMINO)-9H-PURIN-9-YL)-1,3-DIDEOXY-N-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
9828356
Created by admin on Fri Dec 15 15:25:42 GMT 2023 , Edited by admin on Fri Dec 15 15:25:42 GMT 2023
PRIMARY
CAS
331727-55-0
Created by admin on Fri Dec 15 15:25:42 GMT 2023 , Edited by admin on Fri Dec 15 15:25:42 GMT 2023
PRIMARY
FDA UNII
A1LB8I4247
Created by admin on Fri Dec 15 15:25:42 GMT 2023 , Edited by admin on Fri Dec 15 15:25:42 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY