2-[[2-[(2-Furylmethyl)thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-4-one dihydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H20N4O2S.2ClH
Molecular Weight	429.364
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[[2-[(2-Furylmethyl)thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-4-one dihydrochloride

Structure Search

SMILES

Cl.Cl.CC1=NC=C(CC2=CN=C(NCCSCC3=CC=CO3)NC2=O)C=C1

InChI

InChIKey=YMRVRQCKTSRFEW-UHFFFAOYSA-N

InChI=1S/C18H20N4O2S.2ClH/c1-13-4-5-14(10-20-13)9-15-11-21-18(22-17(15)23)19-6-8-25-12-16-3-2-7-24-16;;/h2-5,7,10-11H,6,8-9,12H2,1H3,(H2,19,21,22,23);2*1H

HIDE SMILES / InChI

Molecular Formula	C18H20N4O2S
Molecular Weight	356.442
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 `Wed Apr 02 19:22:05 GMT 2025` Edited by `admin` on `Wed Apr 02 19:22:05 GMT 2025`
Record UNII	CYN6V2X69C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4(3H)-Pyrimidinone, 2-[[2-[(2-furanylmethyl)thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, dihydrochloride

Preferred Name

English

2-[[2-[(2-Furylmethyl)thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-4-one dihydrochloride

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70238651