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Details

Stereochemistry ACHIRAL
Molecular Formula C15H20N6S.H2O4S
Molecular Weight 414.503
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SH-869 ANHYDROUS

SMILES

OS(O)(=O)=O.C1CN(CCN1)C2=NC(N3CCSCC3)=C4N=CC=CC4=N2

InChI

InChIKey=LFTRQKDAMMVEMD-UHFFFAOYSA-N
InChI=1S/C15H20N6S.H2O4S/c1-2-12-13(17-3-1)14(20-8-10-22-11-9-20)19-15(18-12)21-6-4-16-5-7-21;1-5(2,3)4/h1-3,16H,4-11H2;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H20N6S
Molecular Weight 316.424
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 14:07:12 GMT 2023
Edited
by admin
on Sat Dec 16 14:07:12 GMT 2023
Record UNII
C84P7V9A53
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SH-869 ANHYDROUS
Code English
PYRIDO(3,2-D)PYRIMIDINE, 2-(1-PIPERAZINYL)-4-(4-THIOMORPHOLINYL)-, SULFATE
Systematic Name English
Code System Code Type Description
CAS
49845-39-8
Created by admin on Sat Dec 16 14:07:12 GMT 2023 , Edited by admin on Sat Dec 16 14:07:12 GMT 2023
NON-SPECIFIC STOICHIOMETRY
PHAROS
191116
Created by admin on Sat Dec 16 14:07:12 GMT 2023 , Edited by admin on Sat Dec 16 14:07:12 GMT 2023
PRIMARY
PUBCHEM
191116
Created by admin on Sat Dec 16 14:07:12 GMT 2023 , Edited by admin on Sat Dec 16 14:07:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID20198115
Created by admin on Sat Dec 16 14:07:12 GMT 2023 , Edited by admin on Sat Dec 16 14:07:12 GMT 2023
PRIMARY
FDA UNII
C84P7V9A53
Created by admin on Sat Dec 16 14:07:12 GMT 2023 , Edited by admin on Sat Dec 16 14:07:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS