6,8-dimethyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H11N5O3
Molecular Weight	285.2581
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,8-dimethyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

Structure Search

SMILES

CN1C(=O)N(C)C2=NN=C(C3=CC=CC=C3)[N+]([O-])=C2C1=O

InChI

InChIKey=WWPIWUYDGLRTEG-UHFFFAOYSA-N

InChI=1S/C13H11N5O3/c1-16-11-9(12(19)17(2)13(16)20)18(21)10(14-15-11)8-6-4-3-5-7-8/h3-7H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H11N5O3
Molecular Weight	285.2581
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 12:42:19 GMT 2023` Edited by `admin` on `Sat Dec 16 12:42:19 GMT 2023`
Record UNII	2XD6S37GZZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,8-dimethyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

Systematic Name

English

PYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(6H,8H)-DIONE, 6,8-DIMETHYL-3-PHENYL-, 4-OXIDE

Systematic Name

English

NSC-280306

Code

English

Code System Code Type Description

CAS

41661-91-0

Created by admin on Sat Dec 16 12:42:19 GMT 2023 , Edited by admin on Sat Dec 16 12:42:19 GMT 2023

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FDA UNII

2XD6S37GZZ

Created by admin on Sat Dec 16 12:42:19 GMT 2023 , Edited by admin on Sat Dec 16 12:42:19 GMT 2023

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PUBCHEM

461317

Created by admin on Sat Dec 16 12:42:19 GMT 2023 , Edited by admin on Sat Dec 16 12:42:19 GMT 2023

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NSC

280306

Created by admin on Sat Dec 16 12:42:19 GMT 2023 , Edited by admin on Sat Dec 16 12:42:19 GMT 2023

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EPA CompTox

DTXSID10194489

Created by admin on Sat Dec 16 12:42:19 GMT 2023 , Edited by admin on Sat Dec 16 12:42:19 GMT 2023

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