(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H9N3OS
Molecular Weight	231.274
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate

Structure Search

SMILES

CC1=C2C=CC=CC2=NC(CSC#N)=[N+]1[O-]

InChI

InChIKey=HODITGRKQBVCSQ-UHFFFAOYSA-N

InChI=1S/C11H9N3OS/c1-8-9-4-2-3-5-10(9)13-11(14(8)15)6-16-7-12/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H9N3OS
Molecular Weight	231.274
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 12:48:46 GMT 2023` Edited by `admin` on `Sat Dec 16 12:48:46 GMT 2023`
Record UNII	KA9ZZT2DAJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate

Systematic Name

English

NSC-50853

Code

English

Thiocyanic acid, (4-methyl-3-oxido-2-quinazolinyl)methyl ester

Systematic Name

English

(4-Methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate

Systematic Name

English

Code System Code Type Description

CAS

6327-41-9

Created by admin on Sat Dec 16 12:48:46 GMT 2023 , Edited by admin on Sat Dec 16 12:48:46 GMT 2023

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EPA CompTox

DTXSID60212662

Created by admin on Sat Dec 16 12:48:46 GMT 2023 , Edited by admin on Sat Dec 16 12:48:46 GMT 2023

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PUBCHEM

493978

Created by admin on Sat Dec 16 12:48:46 GMT 2023 , Edited by admin on Sat Dec 16 12:48:46 GMT 2023

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FDA UNII

KA9ZZT2DAJ

Created by admin on Sat Dec 16 12:48:46 GMT 2023 , Edited by admin on Sat Dec 16 12:48:46 GMT 2023

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NSC

50853

Created by admin on Sat Dec 16 12:48:46 GMT 2023 , Edited by admin on Sat Dec 16 12:48:46 GMT 2023

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