1-ISOAMYL-3,7-DIMETHYLXANTHINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18N4O2
Molecular Weight	250.2969
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-ISOAMYL-3,7-DIMETHYLXANTHINE

Structure Search

SMILES

CC(C)CCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O

InChI

InChIKey=VLJKEQVJDMCCRE-UHFFFAOYSA-N

InChI=1S/C12H18N4O2/c1-8(2)5-6-16-11(17)9-10(13-7-14(9)3)15(4)12(16)18/h7-8H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C12H18N4O2
Molecular Weight	250.2969
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 `Mon Mar 31 19:00:25 GMT 2025` Edited by `admin` on `Mon Mar 31 19:00:25 GMT 2025`
Record UNII	63US8C0W8J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-3112

Preferred Name

English

1-ISOAMYL-3,7-DIMETHYLXANTHINE

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-1-(3-METHYLBUTYL)-

Systematic Name

English

1-ISOAMYL THEOBROMINE

Systematic Name

English

THEOBROMINE, 1-ISOPENTYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00145041

Created by admin on Mon Mar 31 19:00:25 GMT 2025 , Edited by admin on Mon Mar 31 19:00:25 GMT 2025

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CAS

1024-65-3

Created by admin on Mon Mar 31 19:00:25 GMT 2025 , Edited by admin on Mon Mar 31 19:00:25 GMT 2025

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PUBCHEM

70561

Created by admin on Mon Mar 31 19:00:25 GMT 2025 , Edited by admin on Mon Mar 31 19:00:25 GMT 2025

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FDA UNII

63US8C0W8J

Created by admin on Mon Mar 31 19:00:25 GMT 2025 , Edited by admin on Mon Mar 31 19:00:25 GMT 2025

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NSC

3112

Created by admin on Mon Mar 31 19:00:25 GMT 2025 , Edited by admin on Mon Mar 31 19:00:25 GMT 2025

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