7-Benzyltheophylline

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H14N4O2
Molecular Weight	270.2866
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-Benzyltheophylline

Structure Search

SMILES

CN1C2=C(N(CC3=CC=CC=C3)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=WXWQVDBZDNPNLZ-UHFFFAOYSA-N

InChI=1S/C14H14N4O2/c1-16-12-11(13(19)17(2)14(16)20)18(9-15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C14H14N4O2
Molecular Weight	270.2866
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 19:14:37 GMT 2025` Edited by `admin` on `Mon Mar 31 19:14:37 GMT 2025`
Record UNII	WC4T5K5JUC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-14130

Preferred Name

English

7-Benzyltheophylline

Systematic Name

English

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-

Systematic Name

English

3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione

Systematic Name

English

Code System Code Type Description

NSC

14130

Created by admin on Mon Mar 31 19:14:37 GMT 2025 , Edited by admin on Mon Mar 31 19:14:37 GMT 2025

PRIMARY

EPA CompTox

DTXSID20170996

Created by admin on Mon Mar 31 19:14:37 GMT 2025 , Edited by admin on Mon Mar 31 19:14:37 GMT 2025

PRIMARY

PUBCHEM

95028

Created by admin on Mon Mar 31 19:14:37 GMT 2025 , Edited by admin on Mon Mar 31 19:14:37 GMT 2025

PRIMARY

CAS

1807-85-8

Created by admin on Mon Mar 31 19:14:37 GMT 2025 , Edited by admin on Mon Mar 31 19:14:37 GMT 2025

PRIMARY

FDA UNII

WC4T5K5JUC

Created by admin on Mon Mar 31 19:14:37 GMT 2025 , Edited by admin on Mon Mar 31 19:14:37 GMT 2025

PRIMARY