U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C20H24N7O5P
Molecular Weight 473.4222
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of QYL-685

SMILES

COC(=O)[C@H](C)NP(=O)(OCC1C\C1=C\N2C=NC3=C(N)N=C(N)N=C23)OC4=CC=CC=C4

InChI

InChIKey=XHUFBJWIETZGNX-QUADACEYSA-N
InChI=1S/C20H24N7O5P/c1-12(19(28)30-2)26-33(29,32-15-6-4-3-5-7-15)31-10-14-8-13(14)9-27-11-23-16-17(21)24-20(22)25-18(16)27/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,26,29)(H4,21,22,24,25)/b13-9-/t12-,14?,33?/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24N7O5P
Molecular Weight 473.4222
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:16:30 GMT 2023
Edited
by admin
on Sat Dec 16 08:16:30 GMT 2023
Record UNII
90R59O174E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QYL-685
Common Name English
L-ALANINE, N-((((2Z)-2-((2,6-DIAMINO-9H-PURIN-9-YL)METHYLENE)CYCLOPROPYL)METHOXY)PHENOXYPHOSPHINYL)-, METHYL ESTER
Systematic Name English
L-ALANINE, N-((((2Z)-((2,6-DIAMINO-9H-PURIN-9-YL)METHYLENE)CYCLOPROPYL)METHOXY)PHENOXYPHOSPHINYL)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
90R59O174E
Created by admin on Sat Dec 16 08:16:30 GMT 2023 , Edited by admin on Sat Dec 16 08:16:30 GMT 2023
PRIMARY
PUBCHEM
21148502
Created by admin on Sat Dec 16 08:16:30 GMT 2023 , Edited by admin on Sat Dec 16 08:16:30 GMT 2023
PRIMARY
CAS
210355-14-9
Created by admin on Sat Dec 16 08:16:30 GMT 2023 , Edited by admin on Sat Dec 16 08:16:30 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY