8-Prop-1-enylcaffeine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14N4O2
Molecular Weight	234.2545
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C\C1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=NLJFVWINVFJJCG-AATRIKPKSA-N

InChI=1S/C11H14N4O2/c1-5-6-7-12-9-8(13(7)2)10(16)15(4)11(17)14(9)3/h5-6H,1-4H3/b6-5+

HIDE SMILES / InChI

Molecular Formula	C11H14N4O2
Molecular Weight	234.2545
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:44:15 GMT 2023` Edited by `admin` on `Sat Dec 16 12:44:15 GMT 2023`
Record UNII	2RM5CF2N22
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8-Prop-1-enylcaffeine

Systematic Name

English

Caffeine, 8-(prop-1-enyl)-

Systematic Name

English

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propen-1-yl)-

Systematic Name

English

3,7-Dihydro-1,3,7-trimethyl-8-(1-propen-1-yl)-1H-purine-2,6-dione

Systematic Name

English

NSC-101819

Code

English

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5380637

Created by admin on Sat Dec 16 12:44:15 GMT 2023 , Edited by admin on Sat Dec 16 12:44:15 GMT 2023

PRIMARY

CAS

73747-39-4

Created by admin on Sat Dec 16 12:44:15 GMT 2023 , Edited by admin on Sat Dec 16 12:44:15 GMT 2023

PRIMARY

NSC

101819

Created by admin on Sat Dec 16 12:44:15 GMT 2023 , Edited by admin on Sat Dec 16 12:44:15 GMT 2023

PRIMARY

FDA UNII

2RM5CF2N22

Created by admin on Sat Dec 16 12:44:15 GMT 2023 , Edited by admin on Sat Dec 16 12:44:15 GMT 2023

PRIMARY