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Details

Stereochemistry ACHIRAL
Molecular Formula C20H17BrN6O2
Molecular Weight 453.292
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione

SMILES

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

InChI

InChIKey=RCZJXCXNYGHNSR-UHFFFAOYSA-N
InChI=1S/C20H17BrN6O2/c1-4-5-10-26-16-17(24-19(26)21)25(3)20(29)27(18(16)28)11-15-22-12(2)13-8-6-7-9-14(13)23-15/h6-9H,10-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H17BrN6O2
Molecular Weight 453.292
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 Sat Dec 16 19:17:04 GMT 2023
Edited
by admin
on Sat Dec 16 19:17:04 GMT 2023
Record UNII
2TT35GNF2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Common Name English
1H-Purine-2,6-dione, 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
Systematic Name English
8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
Systematic Name English
Code System Code Type Description
CAS
853029-57-9
Created by admin on Sat Dec 16 19:17:04 GMT 2023 , Edited by admin on Sat Dec 16 19:17:04 GMT 2023
PRIMARY
PUBCHEM
24750049
Created by admin on Sat Dec 16 19:17:04 GMT 2023 , Edited by admin on Sat Dec 16 19:17:04 GMT 2023
PRIMARY
FDA UNII
2TT35GNF2G
Created by admin on Sat Dec 16 19:17:04 GMT 2023 , Edited by admin on Sat Dec 16 19:17:04 GMT 2023
PRIMARY