Catalog Number:
AG00J0ZA
Chemical Name:
6-isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid hydrate
CAS Number:
1609396-45-3
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
MDL Number:
MFCD07643212
IUPAC Name:
6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid;hydrate
InChI:
InChI=1S/C9H12N2O3.H2O/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6;/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14);1H2
InChI Key:
JOMFKCGCLKCZMA-UHFFFAOYSA-N
SMILES:
CC(Cc1cc(nc(=O)[nH]1)C(=O)O)C.O
