3-Benzyloxy-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
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Basic information
- Standard SMILES
CC1OCCn2c1nc(C(=O)O)c(OCc1ccccc1)c2=O- InChIKey
NUCUXSLUVBTCAS-UHFFFAOYSA-N- Molecular formula
- C16H16N2O5
- Average molar mass
- 316.31 g/mol
Names & identifiers
- Preferred name
- 3-Benzyloxy-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
- IUPAC
- 9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
Names & synonyms
SCHEMBL4035305NUCUXSLUVBTCAS-UHFFFAOYSA-N3-Benzyloxy-9-methyl-4-oxo-4,6,7, 9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid3-Benzyloxy-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
Database identifiers
- PubChem CID
- 21069860
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 563
Related reactions
13 records
Compound notes
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