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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21N7O2
Molecular Weight 403.4371
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-8-(methylamino)-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione

SMILES

CNC1=NC2=C(N1CC#CC)C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C

InChI

InChIKey=NKWGWZTXBWAJPE-UHFFFAOYSA-N
InChI=1S/C21H21N7O2/c1-5-6-11-27-17-18(25-20(27)22-3)26(4)21(30)28(19(17)29)12-16-23-13(2)14-9-7-8-10-15(14)24-16/h7-10H,11-12H2,1-4H3,(H,22,25)

HIDE SMILES / InChI

Molecular Formula C21H21N7O2
Molecular Weight 403.4371
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 Wed Apr 02 17:57:12 GMT 2025
Edited
by admin
on Wed Apr 02 17:57:12 GMT 2025
Record UNII
XBX3QV8RUM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-8-(methylamino)-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
Systematic Name English
1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-8-(methylamino)-1-[(4-methyl-2-quinazolinyl)methyl]-
Preferred Name English
Code System Code Type Description
CAS
2468656-63-3
Created by admin on Wed Apr 02 17:57:13 GMT 2025 , Edited by admin on Wed Apr 02 17:57:13 GMT 2025
PRIMARY
PUBCHEM
145875076
Created by admin on Wed Apr 02 17:57:13 GMT 2025 , Edited by admin on Wed Apr 02 17:57:13 GMT 2025
PRIMARY
FDA UNII
XBX3QV8RUM
Created by admin on Wed Apr 02 17:57:13 GMT 2025 , Edited by admin on Wed Apr 02 17:57:13 GMT 2025
PRIMARY
Related Record Type Details
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