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Details

Stereochemistry ACHIRAL
Molecular Formula C11H7ClFN5O
Molecular Weight 279.658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(3-Chloro-4-fluorophenyl)amino]-1,9-dihydro-6H-purin-6-one

SMILES

FC1=C(Cl)C=C(NC2=NC(=O)C3=C(N2)N=CN3)C=C1

InChI

InChIKey=QCVDQVZWWDKIKH-UHFFFAOYSA-N
InChI=1S/C11H7ClFN5O/c12-6-3-5(1-2-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)

HIDE SMILES / InChI

Molecular Formula C11H7ClFN5O
Molecular Weight 279.658
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 20:10:35 GMT 2023
Edited
by admin
on Sat Dec 16 20:10:35 GMT 2023
Record UNII
A87WGB3XZB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(3-Chloro-4-fluorophenyl)amino]-1,9-dihydro-6H-purin-6-one
Systematic Name English
6H-Purin-6-one, 2-[(3-chloro-4-fluorophenyl)amino]-1,9-dihydro-
Systematic Name English
Code System Code Type Description
PUBCHEM
496321
Created by admin on Sat Dec 16 20:10:35 GMT 2023 , Edited by admin on Sat Dec 16 20:10:35 GMT 2023
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EPA CompTox
DTXSID30924664
Created by admin on Sat Dec 16 20:10:35 GMT 2023 , Edited by admin on Sat Dec 16 20:10:35 GMT 2023
PRIMARY
FDA UNII
A87WGB3XZB
Created by admin on Sat Dec 16 20:10:35 GMT 2023 , Edited by admin on Sat Dec 16 20:10:35 GMT 2023
PRIMARY
CAS
123994-77-4
Created by admin on Sat Dec 16 20:10:35 GMT 2023 , Edited by admin on Sat Dec 16 20:10:35 GMT 2023
PRIMARY