diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate
Basic information
- CAS
51934-28-2- Standard SMILES
CCOC(=O)CCC(NC(=O)c1ccc(NCc2nnc3nc(N)nc(N)c3n2)cc1)C(=O)OCC- InChIKey
WPNUPJYKBCQIOG-UHFFFAOYSA-N- Molecular formula
- C22H27N9O5
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 497.213515
Names & identifiers
- Preferred name
- diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate
- IUPAC
- diethyl 2-[[4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate
Names & synonyms
51934-28-2NSC178025SCHEMBL14027461DTXSID10306646NSC-178025diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate
Database identifiers
- CAS
51934-28-2- PubChem CID
- 301381
- DTXSID
DTXSID10306646
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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