SNS-314 MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H15ClN6OS2.CH4O3S
Molecular Weight	527.04
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.ClC1=CC=CC(NC(=O)NC2=NC=C(CCNC3=C4SC=CC4=NC=N3)S2)=C1

InChI

InChIKey=FYCODPVDEFFWSR-UHFFFAOYSA-N

InChI=1S/C18H15ClN6OS2.CH4O3S/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16;1-5(2,3)4/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C18H15ClN6OS2
Molecular Weight	430.934
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
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 `Fri Dec 15 16:18:39 UTC 2023` Edited by `admin` on `Fri Dec 15 16:18:39 UTC 2023`
Record UNII	KGW32FDY3U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SNS-314 MESYLATE

Common Name

English

UREA, N-(3-CHLOROPHENYL)-N'-(5-(2-(THIENO(3,2-D)PYRIMIDIN-4-YLAMINO)ETHYL)-2-THIAZOLYL)-, METHANESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10648376