2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H13ClN2OS
Molecular Weight	316.805
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol

Structure Search

SMILES

CC1=[N+]([O-])C(CSC2=CC=C(Cl)C=C2)=NC3=CC=CC=C13

InChI

InChIKey=MFNGIERHPDNELB-UHFFFAOYSA-N

InChI=1S/C16H13ClN2OS/c1-11-14-4-2-3-5-15(14)18-16(19(11)20)10-21-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3

HIDE SMILES / InChI

Molecular Formula	C16H13ClN2OS
Molecular Weight	316.805
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 `Tue Apr 01 20:18:42 GMT 2025` Edited by `admin` on `Tue Apr 01 20:18:42 GMT 2025`
Record UNII	R94DNK48LL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol

Systematic Name

English

NSC-50855

Preferred Name

English

Quinazoline, 2-[[(4-chlorophenyl)thio]methyl]-4-methyl-, 3-oxide

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80212664

Created by admin on Tue Apr 01 20:18:42 GMT 2025 , Edited by admin on Tue Apr 01 20:18:42 GMT 2025

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CAS

6327-43-1

Created by admin on Tue Apr 01 20:18:42 GMT 2025 , Edited by admin on Tue Apr 01 20:18:42 GMT 2025

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NSC

50855

Created by admin on Tue Apr 01 20:18:42 GMT 2025 , Edited by admin on Tue Apr 01 20:18:42 GMT 2025

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PUBCHEM

472734

Created by admin on Tue Apr 01 20:18:42 GMT 2025 , Edited by admin on Tue Apr 01 20:18:42 GMT 2025

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FDA UNII

R94DNK48LL

Created by admin on Tue Apr 01 20:18:42 GMT 2025 , Edited by admin on Tue Apr 01 20:18:42 GMT 2025

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