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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22N6O
Molecular Weight 326.3962
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DPH-123554

SMILES

CC[C@@H](C)NC1=NC(C)=NC2=C(C(C)=NN12)C3=CC=C(O)N=C3C

InChI

InChIKey=SEMGGFGBFBTHMD-SECBINFHSA-N
InChI=1S/C17H22N6O/c1-6-9(2)18-17-21-12(5)20-16-15(11(4)22-23(16)17)13-7-8-14(24)19-10(13)3/h7-9H,6H2,1-5H3,(H,19,24)(H,18,20,21)/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22N6O
Molecular Weight 326.3962
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:26:36 UTC 2023
Edited
by admin
on Sat Dec 16 16:26:36 UTC 2023
Record UNII
F775CH53JI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DPH-123554
Code English
DPH 123554
Code English
2(1H)-PYRIDINONE, 5-(2,7-DIMETHYL-4-(((1R)-1-METHYLPROPYL)AMINO)PYRAZOLO(1,5-A)-1,3,5-TRIAZIN-8-YL)-6-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
71625262
Created by admin on Sat Dec 16 16:26:37 UTC 2023 , Edited by admin on Sat Dec 16 16:26:37 UTC 2023
PRIMARY
CAS
1426429-29-9
Created by admin on Sat Dec 16 16:26:37 UTC 2023 , Edited by admin on Sat Dec 16 16:26:37 UTC 2023
PRIMARY
FDA UNII
F775CH53JI
Created by admin on Sat Dec 16 16:26:37 UTC 2023 , Edited by admin on Sat Dec 16 16:26:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO