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Details

Stereochemistry ACHIRAL
Molecular Formula C15H16N4O2
Molecular Weight 284.3131
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-BENZYLCAFFEINE

SMILES

CN1C(CC2=CC=CC=C2)=NC3=C1C(=O)N(C)C(=O)N3C

InChI

InChIKey=YWCYMEPBJYACMO-UHFFFAOYSA-N
InChI=1S/C15H16N4O2/c1-17-11(9-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
8-BENZYLCAFFEINE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-8-(PHENYLMETHYL)-
Systematic Name English
CAFFEINE, 8-BENZYL-
Systematic Name English
NSC-14396
Code English
3,7-DIHYDRO-1,3,7-TRIMETHYL-8-(PHENYLMETHYL)-1H-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50202618
Created by admin on Sat Dec 16 12:58:01 GMT 2023 , Edited by admin on Sat Dec 16 12:58:01 GMT 2023
PRIMARY
FDA UNII
H0O8QGM8ZC
Created by admin on Sat Dec 16 12:58:01 GMT 2023 , Edited by admin on Sat Dec 16 12:58:01 GMT 2023
PRIMARY
CAS
5426-88-0
Created by admin on Sat Dec 16 12:58:01 GMT 2023 , Edited by admin on Sat Dec 16 12:58:01 GMT 2023
PRIMARY
PUBCHEM
21551
Created by admin on Sat Dec 16 12:58:01 GMT 2023 , Edited by admin on Sat Dec 16 12:58:01 GMT 2023
PRIMARY
NSC
14396
Created by admin on Sat Dec 16 12:58:01 GMT 2023 , Edited by admin on Sat Dec 16 12:58:01 GMT 2023
PRIMARY