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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23N7O2
Molecular Weight 417.4637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C)N(C)C

InChI

InChIKey=ZKRHXTRPKXIHKJ-UHFFFAOYSA-N
InChI=1S/C22H23N7O2/c1-6-7-12-28-18-19(25-21(28)26(3)4)27(5)22(31)29(20(18)30)13-17-23-14(2)15-10-8-9-11-16(15)24-17/h8-11H,12-13H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C22H23N7O2
Molecular Weight 417.4637
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 18:23:11 GMT 2025
Edited
by admin
on Wed Apr 02 18:23:11 GMT 2025
Record UNII
KD2UN39QWE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-8-(dimethylamino)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
Preferred Name English
7-(2-Butyn-1-yl)-8-(dimethylamino)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
Systematic Name English
Code System Code Type Description
FDA UNII
KD2UN39QWE
Created by admin on Wed Apr 02 18:23:11 GMT 2025 , Edited by admin on Wed Apr 02 18:23:11 GMT 2025
PRIMARY
PUBCHEM
90645686
Created by admin on Wed Apr 02 18:23:11 GMT 2025 , Edited by admin on Wed Apr 02 18:23:11 GMT 2025
PRIMARY
CAS
1646355-34-1
Created by admin on Wed Apr 02 18:23:11 GMT 2025 , Edited by admin on Wed Apr 02 18:23:11 GMT 2025
PRIMARY
Related Record Type Details
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