Basic information
- Standard SMILES
CSCCC1OCCn2c1nc(C(=O)O)c(OCc1ccccc1)c2=O- InChIKey
SAGMKPSVWYUVJH-UHFFFAOYSA-N- Molecular formula
- C18H20N2O5S
- Average molar mass
- 376.4 g/mol
Names & identifiers
- Preferred name
- 3-(Benzyloxy)-9-(2-(methylthio)ethyl)-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
- IUPAC
- 9-(2-methylsulfanylethyl)-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
Names & synonyms
SCHEMBL4040796SAGMKPSVWYUVJH-UHFFFAOYSA-N3-(Benzyloxy)-9-(2-(methylthio)ethyl)-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
Database identifiers
- PubChem CID
- 21069857
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 613
Related reactions
5 records
Compound notes
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