8-ALLYLTHEOPHYLLINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12N4O2
Molecular Weight	220.2279
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-ALLYLTHEOPHYLLINE

Structure Search

SMILES

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

InChI

InChIKey=SUFDPQNULQXJTM-UHFFFAOYSA-N

InChI=1S/C10H12N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4H,1,5H2,2-3H3,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

8-ALLYLTHEOPHYLLINE

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-8-(2-PROPEN-1-YL)-

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-8-(2-PROPENYL)-

Systematic Name

English

3,9-DIHYDRO-1,3-DIMETHYL-8-(2-PROPEN-1-YL)-1H-PURINE-2,6-DIONE

Systematic Name

English

THEOPHYLLINE, 8-ALLYL-

Systematic Name

English

NSC-14300

Code

English

Code System Code Type Description

EPA CompTox

DTXSID70224933

Created by admin on Sat Dec 16 12:57:05 GMT 2023 , Edited by admin on Sat Dec 16 12:57:05 GMT 2023

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CAS

74039-62-6

Created by admin on Sat Dec 16 12:57:05 GMT 2023 , Edited by admin on Sat Dec 16 12:57:05 GMT 2023

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PUBCHEM

95031

Created by admin on Sat Dec 16 12:57:05 GMT 2023 , Edited by admin on Sat Dec 16 12:57:05 GMT 2023

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FDA UNII

JOJ1BV11GF

Created by admin on Sat Dec 16 12:57:05 GMT 2023 , Edited by admin on Sat Dec 16 12:57:05 GMT 2023

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NSC

14300

Created by admin on Sat Dec 16 12:57:05 GMT 2023 , Edited by admin on Sat Dec 16 12:57:05 GMT 2023

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SUBSTANCE RECORD


					JOJ1BV11GF

8-ALLYLTHEOPHYLLINE