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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H13N5.ClH
Molecular Weight 275.737
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-PHENETHYLAMINO)-1H-PYRAZOLO((3,4D))PYRIMIDINE HYDROCHLORIDE

SMILES

Cl.C(CC1=CC=CC=C1)NC2=C3C=NNC3=NC=N2

InChI

InChIKey=UIVRODKONWGJMN-UHFFFAOYSA-N
InChI=1S/C13H13N5.ClH/c1-2-4-10(5-3-1)6-7-14-12-11-8-17-18-13(11)16-9-15-12;/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H13N5
Molecular Weight 239.2758
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 Mon Mar 31 18:10:13 GMT 2025
Edited
by admin
on Mon Mar 31 18:10:13 GMT 2025
Record UNII
C9EBC234QL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-11641
Preferred Name English
4-(2-PHENETHYLAMINO)-1H-PYRAZOLO((3,4D))PYRIMIDINE HYDROCHLORIDE
Common Name English
1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINE, N-(2-PHENYLETHYL)-, MONOHYDROCHLORIDE
Common Name English
1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINE, N-(2-PHENYLETHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
NSC
11641
Created by admin on Mon Mar 31 18:10:13 GMT 2025 , Edited by admin on Mon Mar 31 18:10:13 GMT 2025
PRIMARY
CAS
42204-29-5
Created by admin on Mon Mar 31 18:10:13 GMT 2025 , Edited by admin on Mon Mar 31 18:10:13 GMT 2025
PRIMARY
PUBCHEM
24181822
Created by admin on Mon Mar 31 18:10:13 GMT 2025 , Edited by admin on Mon Mar 31 18:10:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID40636428
Created by admin on Mon Mar 31 18:10:13 GMT 2025 , Edited by admin on Mon Mar 31 18:10:13 GMT 2025
PRIMARY
FDA UNII
C9EBC234QL
Created by admin on Mon Mar 31 18:10:13 GMT 2025 , Edited by admin on Mon Mar 31 18:10:13 GMT 2025
PRIMARY