U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H8N6O8S2
Molecular Weight 476.4
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-bis[(2,4-dinitrophenyl)sulfanyl]pyrimidine

SMILES

[O-][N+](=O)C1=CC(=C(SC2=NC(SC3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)=NC=C2)C=C1)[N+]([O-])=O

InChI

InChIKey=ZEYAWBLUHWFOLC-UHFFFAOYSA-N
InChI=1S/C16H8N6O8S2/c23-19(24)9-1-3-13(11(7-9)21(27)28)31-15-5-6-17-16(18-15)32-14-4-2-10(20(25)26)8-12(14)22(29)30/h1-8H

HIDE SMILES / InChI

Molecular Formula C16H8N6O8S2
Molecular Weight 476.4
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 12:57:37 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:37 GMT 2023
Record UNII
WD5XVN89V5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-bis[(2,4-dinitrophenyl)sulfanyl]pyrimidine
Systematic Name English
PYRIMIDINE, 2,4-BIS((2,4-DINITROPHENYL)THIO)-
Systematic Name English
NSC-302586
Code English
2,4-Bis[(2,4-dinitrophenyl)thio]pyrimidine
Systematic Name English
Code System Code Type Description
CAS
73768-66-8
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
PUBCHEM
100453
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID80994670
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
NSC
302586
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
FDA UNII
WD5XVN89V5
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY