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Details

Stereochemistry ACHIRAL
Molecular Formula C10H15N5O3
Molecular Weight 253.2578
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-DIHYDRO-8-((2-HYDROXYETHYL)AMINO)-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE

SMILES

CN1C(NCCO)=NC2=C1C(=O)N(C)C(=O)N2C

InChI

InChIKey=AWJFREKYPJBFBG-UHFFFAOYSA-N
InChI=1S/C10H15N5O3/c1-13-6-7(12-9(13)11-4-5-16)14(2)10(18)15(3)8(6)17/h16H,4-5H2,1-3H3,(H,11,12)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3,7-DIHYDRO-8-((2-HYDROXYETHYL)AMINO)-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name English
NSC-32050
Preferred Name English
CAFFEINE, 8-(2-HYDROXYETHYLAMINO)-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-((2-HYDROXYETHYL)AMINO)-1,3,7-TRIMETHYL-
Systematic Name English
CAFFEINE, 8-((2-HYDROXYETHYL)AMINO)-
Systematic Name English
Code System Code Type Description
CAS
6320-10-1
Created by admin on Tue Apr 01 19:34:25 GMT 2025 , Edited by admin on Tue Apr 01 19:34:25 GMT 2025
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FDA UNII
K43O3S4A4S
Created by admin on Tue Apr 01 19:34:25 GMT 2025 , Edited by admin on Tue Apr 01 19:34:25 GMT 2025
PRIMARY
PUBCHEM
22780
Created by admin on Tue Apr 01 19:34:25 GMT 2025 , Edited by admin on Tue Apr 01 19:34:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID00212560
Created by admin on Tue Apr 01 19:34:25 GMT 2025 , Edited by admin on Tue Apr 01 19:34:25 GMT 2025
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NSC
32050
Created by admin on Tue Apr 01 19:34:25 GMT 2025 , Edited by admin on Tue Apr 01 19:34:25 GMT 2025
PRIMARY
NIH
NCATS
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