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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H14N2O
Molecular Weight 238.2845
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHOXY-5-(2-(3-METHYLPHENYL)ETHYNYL)PYRIMIDINE

SMILES

CCOC1=NC=C(C=N1)C#CC2=CC=CC(C)=C2

InChI

InChIKey=LZJPKUYOMGXTBK-UHFFFAOYSA-N
InChI=1S/C15H14N2O/c1-3-18-15-16-10-14(11-17-15)8-7-13-6-4-5-12(2)9-13/h4-6,9-11H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C15H14N2O
Molecular Weight 238.2845
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 16:37:17 GMT 2023
Edited
by admin
on Sat Dec 16 16:37:17 GMT 2023
Record UNII
H3S0D2MV6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHOXY-5-(2-(3-METHYLPHENYL)ETHYNYL)PYRIMIDINE
Systematic Name English
PYRIMIDINE, 2-ETHOXY-5-(2-(3-METHYLPHENYL)ETHYNYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
H3S0D2MV6E
Created by admin on Sat Dec 16 16:37:17 GMT 2023 , Edited by admin on Sat Dec 16 16:37:17 GMT 2023
PRIMARY
PUBCHEM
44190034
Created by admin on Sat Dec 16 16:37:17 GMT 2023 , Edited by admin on Sat Dec 16 16:37:17 GMT 2023
PRIMARY
CAS
1172612-42-8
Created by admin on Sat Dec 16 16:37:17 GMT 2023 , Edited by admin on Sat Dec 16 16:37:17 GMT 2023
PRIMARY