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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H19N3O6
Molecular Weight 361.3493
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,6-Dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic acid

SMILES

CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)OCC2=CC=CC=C2)C(O)=O

InChI

InChIKey=XBDXEDHLIPHKPT-UHFFFAOYSA-N
InChI=1S/C17H19N3O6/c1-17(2,19-16(25)26-9-10-7-5-4-6-8-10)15-18-11(14(23)24)12(21)13(22)20(15)3/h4-8,21H,9H2,1-3H3,(H,19,25)(H,23,24)

HIDE SMILES / InChI

Molecular Formula C17H19N3O6
Molecular Weight 361.3493
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 20:24:58 GMT 2025
Edited
by admin
on Wed Apr 02 20:24:58 GMT 2025
Record UNII
2W5V62H2RG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,6-Dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic acid
Systematic Name English
2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
Preferred Name English
4-Pyrimidinecarboxylic acid, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-
Systematic Name English
Code System Code Type Description
CAS
2387230-78-4
Created by admin on Wed Apr 02 20:24:58 GMT 2025 , Edited by admin on Wed Apr 02 20:24:58 GMT 2025
PRIMARY
PUBCHEM
132256474
Created by admin on Wed Apr 02 20:24:58 GMT 2025 , Edited by admin on Wed Apr 02 20:24:58 GMT 2025
PRIMARY
FDA UNII
2W5V62H2RG
Created by admin on Wed Apr 02 20:24:58 GMT 2025 , Edited by admin on Wed Apr 02 20:24:58 GMT 2025
PRIMARY