1,3-DIISOBUTYLXANTHINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H20N4O2
Molecular Weight	264.3235
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CN1C2=C(NC=N2)C(=O)N(CC(C)C)C1=O

InChI

InChIKey=IPUAJXHKDUKOCH-UHFFFAOYSA-N

InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula	C13H20N4O2
Molecular Weight	264.3235
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 07:09:02 GMT 2025` Edited by `admin` on `Wed Apr 02 07:09:02 GMT 2025`
Record UNII	369S55T7DX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-DIISOBUTYLXANTHINE

Common Name

English

1,3-BIS(2-METHYLPROPYL)-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE

Preferred Name

English

3,9-DIHYDRO-1,3-BIS(2-METHYLPROPYL)-1H-PURINE-2,6-DIONE

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-BIS(2-METHYLPROPYL)-

Systematic Name

English

1,3-BIS(2-METHYLPROPYL)-7H-PURINE-2,6-DIONE

Systematic Name

English

Code System Code Type Description

CAS

63908-24-7

Created by admin on Wed Apr 02 07:09:02 GMT 2025 , Edited by admin on Wed Apr 02 07:09:02 GMT 2025

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PUBCHEM

3048504

Created by admin on Wed Apr 02 07:09:02 GMT 2025 , Edited by admin on Wed Apr 02 07:09:02 GMT 2025

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FDA UNII

369S55T7DX

Created by admin on Wed Apr 02 07:09:02 GMT 2025 , Edited by admin on Wed Apr 02 07:09:02 GMT 2025

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EPA CompTox

DTXSID70213605

Created by admin on Wed Apr 02 07:09:02 GMT 2025 , Edited by admin on Wed Apr 02 07:09:02 GMT 2025

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