Basic information
- CAS
73217-08-0- Standard SMILES
CCOC(=O)/C(Nc1ccc(C(=O)OCC)cc1)=C1\COc2nc(N)[nH]c(=O)c2N1- InChIKey
GRCDGXZBHXJGOV-SEYXRHQNSA-N- Molecular formula
- C19H21N5O6
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.14918339
Names & identifiers
- Preferred name
- ethyl 4-[[(1Z)-1-(2-amino-4-oxo-3,5-dihydropyrimido[4,5-b][1,4]oxazin-6-ylidene)-2-ethoxy-2-oxoethyl]amino]benzoate
- IUPAC
- ethyl 4-[[(1Z)-1-(2-amino-4-oxo-3,5-dihydropyrimido[4,5-b][1,4]oxazin-6-ylidene)-2-ethoxy-2-oxoethyl]amino]benzoate
Names & synonyms
73217-08-0AC1O04HUDTXSID30421608NSC342997NSC-342997Ethyl 4-{[(1Z)-1-(2-amino-4-oxo-3,5-dihydro-4H-pyrimido[4,5-b][1,4]oxazin-6(7H)-ylidene)-2-ethoxy-2-oxoethyl]amino}benzoate
Database identifiers
- CAS
73217-08-0- PubChem CID
- 5978552
- DTXSID
DTXSID30421608
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 810
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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