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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15N3O2S
Molecular Weight 277.342
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-Nitrophenyl)-4,4,6-trimethyl-1H,4H-pyrimidine-2-thiol

SMILES

CC1=CC(C)(C)NC(=S)N1C2=CC(=CC=C2)[N+]([O-])=O

InChI

InChIKey=FPHPUXDLDLVQCI-UHFFFAOYSA-N
InChI=1S/C13H15N3O2S/c1-9-8-13(2,3)14-12(19)15(9)10-5-4-6-11(7-10)16(17)18/h4-8H,1-3H3,(H,14,19)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(3-Nitrophenyl)-4,4,6-trimethyl-1H,4H-pyrimidine-2-thiol
Systematic Name English
2(1H)-Pyrimidinethione, 3,4-dihydro-1-(m-nitrophenyl)-4,4,6-trimethyl-
Systematic Name English
2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-nitrophenyl)-
Systematic Name English
NSC-49831
Code English
Code System Code Type Description
NSC
49831
Created by admin on Sat Dec 16 12:50:34 GMT 2023 , Edited by admin on Sat Dec 16 12:50:34 GMT 2023
PRIMARY
PUBCHEM
3034471
Created by admin on Sat Dec 16 12:50:34 GMT 2023 , Edited by admin on Sat Dec 16 12:50:34 GMT 2023
PRIMARY
CAS
37489-52-4
Created by admin on Sat Dec 16 12:50:34 GMT 2023 , Edited by admin on Sat Dec 16 12:50:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID10190941
Created by admin on Sat Dec 16 12:50:34 GMT 2023 , Edited by admin on Sat Dec 16 12:50:34 GMT 2023
PRIMARY
FDA UNII
2X9ZS5NE9E
Created by admin on Sat Dec 16 12:50:34 GMT 2023 , Edited by admin on Sat Dec 16 12:50:34 GMT 2023
PRIMARY
NIH
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