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Details

Stereochemistry RACEMIC
Molecular Formula C19H23F2N5O2
Molecular Weight 391.415
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(3,5-Difluoro-4-hydroxyphenyl)amino]-7,8-dihydro-5,7-dimethyl-8-(3-methylbutyl)-6(5H)-pteridinone

SMILES

CC(C)CCN1C(C)C(=O)N(C)C2=C1N=C(NC3=CC(F)=C(O)C(F)=C3)N=C2

InChI

InChIKey=DTEKTGDVSARYDS-UHFFFAOYSA-N
InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C19H23F2N5O2
Molecular Weight 391.415
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:09:28 UTC 2023
Edited
by admin
on Sat Dec 16 09:09:28 UTC 2023
Record UNII
WLN44M8WHJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(3,5-Difluoro-4-hydroxyphenyl)amino]-7,8-dihydro-5,7-dimethyl-8-(3-methylbutyl)-6(5H)-pteridinone
Systematic Name English
6(5H)-Pteridinone, 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dihydro-5,7-dimethyl-8-(3-methylbutyl)-
Systematic Name English
BI-D1870
Code English
BI-D 1870
Code English
Code System Code Type Description
PUBCHEM
25023738
Created by admin on Sat Dec 16 09:09:28 UTC 2023 , Edited by admin on Sat Dec 16 09:09:28 UTC 2023
PRIMARY
FDA UNII
WLN44M8WHJ
Created by admin on Sat Dec 16 09:09:28 UTC 2023 , Edited by admin on Sat Dec 16 09:09:28 UTC 2023
PRIMARY
CAS
501437-28-1
Created by admin on Sat Dec 16 09:09:28 UTC 2023 , Edited by admin on Sat Dec 16 09:09:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID40648506
Created by admin on Sat Dec 16 09:09:28 UTC 2023 , Edited by admin on Sat Dec 16 09:09:28 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR