8-PHENYLCAFFEINE

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 Search

SMILES

CN1C(=NC2=C1C(=O)N(C)C(=O)N2C)C3=CC=CC=C3

InChI

InChIKey=MBYIBRUTNFFDFL-UHFFFAOYSA-N

InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3

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 `Sat Dec 16 11:35:42 GMT 2023` Edited by `admin` on `Sat Dec 16 11:35:42 GMT 2023`
Record UNII	3IGY251T33
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

8-PHENYLCAFFEINE

Systematic Name

English

1,3,7-TRIMETHYL-8-PHENYLXANTHINE

Systematic Name

English

1,3,7-TRIMETHYL-8-PHENYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

Systematic Name

English

1,3,7-TRIMETHYL-8-PHENYL-3,7-DIHYDRO-PURINE-2,6-DIONE

Systematic Name

English

1H-PURINE-2,6-DIONE,3,7-DIHYDRO-1,3,7-TRIMETHYL-8-PHENYL

Systematic Name

English

1,3,7-TRIMETHYL-8-PHENYLPURINE-2,6-DIONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10485465

Created by admin on Sat Dec 16 11:35:42 GMT 2023 , Edited by admin on Sat Dec 16 11:35:42 GMT 2023

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PUBCHEM

12295531

Created by admin on Sat Dec 16 11:35:42 GMT 2023 , Edited by admin on Sat Dec 16 11:35:42 GMT 2023

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FDA UNII

3IGY251T33

Created by admin on Sat Dec 16 11:35:42 GMT 2023 , Edited by admin on Sat Dec 16 11:35:42 GMT 2023

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CAS

6439-88-9

Created by admin on Sat Dec 16 11:35:42 GMT 2023 , Edited by admin on Sat Dec 16 11:35:42 GMT 2023

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